Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I90_2019M8 (2019 - Homo sapiens - Human family of nuclear receptors)
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3D Models
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DB.fasta
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Full name of ligand selected in the comparative docking column:
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Quality: [
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Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
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Query Sequence
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Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
EST - [nb=50] --> ESTRADIOL
DHT - [nb=35] --> .....ALPHA-DIHYDROTESTOSTERONE
B7G - [nb=30] --> .....YL-BETA-D-GLUCOPYRANOSIDE
REA - [nb=25] --> RETINOIC ACID
OHT - [nb=16] --> 4-HYDROXYTAMOXIFEN
444 - [nb=16] --> .....PHENYL}BENZENESULFONAMIDE
4HY - [nb=11] --> .....IIODO-PHENYL]-ACETIC ACID
DEX - [nb=10] --> DEXAMETHASONE
T3 - [nb=10] --> 3,5,3'TRIIODOTHYRONINE
TES - [nb=10] --> TESTOSTERONE
9CR - [nb=9] --> (9cis)-retinoic acid
486 - [nb=9] --> .....PENTA[A]PHENANTHREN-3-ONE
STR - [nb=9] --> PROGESTERONE
198 - [nb=8] --> R-BICALUTAMIDE
DES - [nb=8] --> DIETHYLSTILBESTROL
HFT - [nb=8] --> HYDROXYFLUTAMIDE
EPH - [nb=7] --> .....-PHOSPHATIDYLETHANOLAMINE
RAL - [nb=7] --> RALOXIFENE
SRL - [nb=7] --> .....HONIC ACID DIETHLYL ESTER
KN3 - [nb=6] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
EDK - [nb=6] --> .....enyl]amino]propanoic acid
IMN - [nb=6] --> INDOMETHACIN
R18 - [nb=6] --> .....LESTRA-4,9,11-TRIEN-3-ONE
1CA - [nb=6] --> DESOXYCORTICOSTERONE
CPS - [nb=6] --> .....MONIO]-1-PROPANESULFONATE
I0G - [nb=6] --> .....CYCLOPENTA[C]CHROMEN-8-OL
OLA - [nb=6] --> OLEIC ACID
GEN - [nb=6] --> GENISTEIN
KN1 - [nb=6] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
TXF - [nb=5] --> .....-PHENYLPENT-1-ENYL)PHENOL
BM6 - [nb=5] --> .....OXOLAN-2-YL]-BENZOIC ACID
PTG - [nb=5] --> .....,12,14-TETRAEN-1-OIC ACID
GW9 - [nb=5] --> .....5-NITRO-N-PHENYLBENZAMIDE
GW5 - [nb=5] --> .....-ENYL]PHENYL}ACRYLIC ACID
LRG - [nb=5] --> .....Y)-3-PHENYLPROPANOIC ACID
C3S - [nb=5] --> .....-EN-3-YL HYDROGEN SULFATE
4P3 - [nb=4] --> .....xy)biphenyl-3-carboxamide
4Q3 - [nb=4] --> .....-fluoro-N-methylbenzamide
EEZ - [nb=4] --> .....sulfonylphenyl)ethanamide
668 - [nb=4] --> .....yl}-N,N-dimethylbenzamide
OBH - [nb=4] --> ......1]hept-5-ene-2-sulfonate
G8Y - [nb=4] --> .....][1]benzoxepine-5,11-diol
7EB - [nb=4] --> ......1]hept-5-ene-2-sulfonate
AS0 - [nb=4] --> .....-11-YL]BENZALDEHYDE OXIME
XGH - [nb=4] --> .....-2-methylpropyl)acetamide
0D1 - [nb=4] --> .....OETHENE-1,1-DIYL)DIPHENOL
DC8 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
ETC - [nb=4] --> .....TRAHYDROCHRYSENE-2,8-DIOL
244 - [nb=4] --> .....ZOFURAN-7-YL]ACETONITRILE
272 - [nb=4] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
AYO - [nb=4] --> .....amino]-6-oxohexanoic acid
82O - [nb=4] --> .....pyrrolidine-3-carboxamide
6OX - [nb=4] --> .....imidazol-4-yl]propan-2-ol
471 - [nb=4] --> .....PHENYL}PROPYL)PROPANAMIDE
9NP - [nb=4] --> .....nzimidazol-1-yl}acetamide
29S - [nb=4] --> Bazedoxifene
OR8 - [nb=4] --> .....1H-PYRAZOLE-4-SULFONAMIDE
7EC - [nb=4] --> ......1]hept-5-ene-2-sulfonate
9P6 - [nb=4] --> .....xan-4-ylmethyl)ethanamide
6Q5 - [nb=4] --> Ursolic acid
9HF - [nb=4] --> .....riazole-5-carboxylic acid
JJ3 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
82R - [nb=4] --> .....ne-6,2'-oxane]-10,16-diol
4M5 - [nb=4] --> .....,10,13,19-pentaenoic acid
98N - [nb=4] --> .....-b]pyridine-3-carboxamide
AJA - [nb=4] --> .....HROMENE-9-CARBOXYLIC ACID
98H - [nb=4] --> .....henanthrene-3,7(4H)-dione
DAO - [nb=4] --> LAURIC ACID
LG2 - [nb=4] --> .....YRIDINE-3-CARBOXYLIC ACID
6Q6 - [nb=4] --> .....ethoxyphenyl)propan-1-one
KN0 - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
072 - [nb=4] --> .....PTYL-4-OXO-5-THIAZOLIDINE
F15 - [nb=4] --> PENTADECANOIC ACID
OCR - [nb=4] --> .....5,8,11,13-TETRAENOIC ACID
7EE - [nb=4] --> .....,4-trien-20-yne-3,17-diol
AEJ - [nb=4] --> .....ETRAHYDROISOQUINOLIN-6-OL
ACD - [nb=4] --> ARACHIDONIC ACID
Y1N - [nb=3] --> .....YL]PHENOXY]PROPANOIC ACID
JZR - [nb=3] --> .....yl beta-D-glucopyranoside
4D8 - [nb=3] --> .....4-DIENE-4-CARBOXYLIC ACID
MLO - [nb=3] --> .....N-1-YL)BIPHENYL-2,2'-DIOL
S44 - [nb=3] --> .....THYL}BENZYL)BUTANOIC ACID
9R3 - [nb=3] --> .....hiazole-6-carboxylic acid
AZ2 - [nb=3] --> .....OXY)PHENYL]PROPANOIC ACID
B72 - [nb=3] --> .....METHYLPHENOXY}ACETIC ACID
MYR - [nb=3] --> MYRISTIC ACID
3JX - [nb=3] --> .....IPHENYL-2-CARBOXYLIC ACID
T9T - [nb=3] --> TRIPHENYLSTANNANYL
40U - [nb=3] --> .....L}-2-CYCLOPROPYLACETAMIDE
P6L - [nb=3] --> .....PYL (8E)-OCTADEC-8-ENOATE
965 - [nb=3] --> .....ROPOXY)PHENYL]ACETIC ACID
NDR - [nb=3] --> .....17-HYDROXYESTR-4-EN-3-ONE
33Y - [nb=3] --> .....,5-b]indole-5-carboxylate
TTB - [nb=3] --> .....)PROP-1-ENYL]BENZOIC ACID
FHM - [nb=3] --> .....METHYL)PHENYL]PROPANAMIDE
STL - [nb=3] --> RESVERATROL
ET1 - [nb=3] --> .....INDOL-3-YL}PROPANOIC ACID
BOG - [nb=3] --> SUGAR (B-OCTYLGLUCOSIDE)
76E - [nb=3] --> .....NZOXAZEPIN-7-YL]BENZAMIDE
8YB - [nb=3] --> .....sulfonylphenyl)ethanamide
CHC - [nb=3] --> .....HYL-CHENODEOXYCHOLIC ACID
8LX - [nb=3] --> .....,3-thiazolidine-2,4-dione
44B - [nb=3] --> .....)AMINO]PHENYL}PROPAN-2-OL
XDH - [nb=3] --> .....YLBIS(2,6-DICHLOROPHENOL)
PLB - [nb=3] --> .....IDIN-2-YLOXY)BENZOIC ACID
60R - [nb=3] --> .....~{H}-1,4-benzoxazin-3-one
SNL - [nb=3] --> SPIRONOLACTONE
PEF - [nb=3] --> .....-PHOSPHATIDYLETHANOLAMINE
65W - [nb=3] --> .....yl)phenoxy]propanoic acid
MOF - [nb=3] --> MOMETASONE FUROATE
6F1 - [nb=3] --> .....hyl)benzene-1-sulfonamide
9R0 - [nb=3] --> .....hiazole-6-carboxylic acid
TBY - [nb=3] --> TRIBUTYLSTANNANYL
7EH - [nb=3] --> .....azo[4,5-b]pyridin-2-amine
JZN - [nb=3] --> .....L]CARBONYL}-D-PROLINAMIDE
W14 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-7-OL
5KA - [nb=2] --> .....dene}methanediyl)diphenol
YFD - [nb=2] --> AMORFRUTIN 2
UNT - [nb=2] --> .....IAZOL-2-YL)PROPANOIC ACID
OB3 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
HIG - [nb=2] --> .....3H-IMIDAZO[4,5-B]PYRIDINE
5ET - [nb=2] --> .....5-diylbis(3-chlorophenol)
397 - [nb=2] --> .....XY-PHENYL)BENZOFURAN-5-OL
6WW - [nb=2] --> .....openta[a]phenanthren-3-ol
ZTW - [nb=2] --> RALOXIFENE CORE
A48 - [nb=2] --> .....IFLUOROETHYL)AMINO]PHENOL
5EU - [nb=2] --> .....-diyl)bis(3-chlorophenol)
MUF - [nb=2] --> .....5-DIENE-3-CARBOXYLIC ACID
7EQ - [nb=2] --> .....1lambda~4~-thiophen-1-one
9MP - [nb=2] --> .....nzimidazol-1-yl}acetamide
HJ4 - [nb=2] --> .....-one (non-preferred name)
9WD - [nb=2] --> .....iperidin-1-yl}ethan-1-one
OOF - [nb=2] --> .....ACETYL}AMINO)BENZOIC ACID
YFB - [nb=2] --> AMORFRUTIN B
459 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
39K - [nb=2] --> .....-PHENYLMETHANESULFONAMIDE
E3S - [nb=2] --> .....soquinoline-1-carboxamide
93U - [nb=2] --> .....yridine-3,5-dicarboxylate
5C4 - [nb=2] --> .....p-1-ene-1,1-diyl}diphenol
7E3 - [nb=2] --> .....yl]phenoxy}pentanoic acid
27L - [nb=2] --> .....IMETHYLPENTAN-2-YL)PHENOL
4WH - [nb=2] --> .....-methyl-1H-1,2,3-triazole
EQO - [nb=2] --> .....2-YL]ETHENYL}BENZOIC ACID
5BC - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
8A7 - [nb=2] --> .....,3-thiazolidine-2,4-dione
JYH - [nb=2] --> .....RBONYL]AMINO}BENZOIC ACID
NBH - [nb=2] --> .....SULFONYL)PHENYL]ACETAMIDE
5K4 - [nb=2] --> .....dene]methanediyl}diphenol
SU4 - [nb=2] --> .....PROPYL]BENZENESULFONAMIDE
0KS - [nb=2] --> .....-METHYLBENZENESULFONAMIDE
5JX - [nb=2] --> .....dene]methanediyl}diphenol
9L4 - [nb=2] --> .....acetyl}amino)benzoic acid
7EL - [nb=2] --> .....[1,1'-biphenyl]-3,4'-diol
5G2 - [nb=2] --> .....da~6~-thiophene-1,1-dione
88J - [nb=2] --> .....yl)(pyridin-4-yl)methanol
DRH - [nb=2] --> .....XY)-2-METHYLBUTANOIC ACID
7J9 - [nb=2] --> .....-yl]phenoxy}hexanoic acid
243 - [nb=2] --> .....CTADECA-9,11-DIENOIC ACID
240 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
CUE - [nb=2] --> Coumestrol
7KL - [nb=2] --> .....]phenyl}prop-2-enoic acid
1GV - [nb=2] --> .....5-DIYLBIS(3-METHYLPHENOL)
689 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
5C7 - [nb=2] --> .....p-1-ene-1,1-diyl]diphenol
4F1 - [nb=2] --> .....indazol-3-yl}benzoic acid
6WM - [nb=2] --> .....[a]phenanthrene-3,17-diol
9KY - [nb=2] --> .....nzimidazol-1-yl}acetamide
9L7 - [nb=2] --> .....N,2-dicyclohexylacetamide
EE8 - [nb=2] --> .....-ethoxy-phenyl)ethanamide
PIQ - [nb=2] --> .....NYLIMIDAZO[4,5-B]PYRIDINE
7EM - [nb=2] --> .....ene-2,3,5-triyl)triphenol
5DJ - [nb=2] --> .....lethene-1,1-diyl)diphenol
3SN - [nb=2] --> .....lobutylbenzenesulfonamide
99N - [nb=2] --> .....en-3-yl] hydrogen sulfate
27J - [nb=2] --> ALPHA-ZEARALANOL
WV7 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
5KB - [nb=2] --> .....dene]methanediyl}diphenol
5ES - [nb=2] --> .....}ethene-1,1-diyl)diphenol
866 - [nb=2] --> .....1H-PYRAZOLE-4-CARBOXAMIDE
Z27 - [nb=2] --> .....METHYL)BENZENESULFONAMIDE
GKK - [nb=2] --> .....BENZYL]AMINO}BENZONITRILE
WY1 - [nb=2] --> .....2-YL}SULFANYL)ACETIC ACID
369 - [nb=2] --> .....)-7-METHYLNAPHTHALEN-2-OL
OB2 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
241 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
9KV - [nb=2] --> .....nzimidazol-1-yl]acetamide
6WN - [nb=2] --> .....enta[a]phenanthren-17-one
7EF - [nb=2] --> .....zol-3-yl]benzene-1,3-diol
G9J - [nb=2] --> .....thyl-2H-1-benzopyran-6-ol
555 - [nb=2] --> .....L)-1-NAPHTHALDEHYDE OXIME
7G1 - [nb=2] --> .....spirobi[indene]-1',5-diol
OB9 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
047 - [nb=2] --> .....L-3-YL]METHYL}METHANAMINE
7VX - [nb=2] --> .....picene-4a-carboxylic acid
EF5 - [nb=2] --> .....3-thiazol-2-yl]ethanamide
5J1 - [nb=2] --> .....-9-ylmethanediyl]diphenol
EES - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
27H - [nb=2] --> FERUTININE
7FD - [nb=2] --> .....thyl]phenyl}prop-2-enoate
5KF - [nb=2] --> .....dene]methanediyl}diphenol
797 - [nb=2] --> .....L)-BENZO[D]ISOOXAZOL-6-OL
338 - [nb=2] --> .....-YL)-1,3-BENZOOXAZOL-6-OL
5OX - [nb=2] --> .....,14,17,20-PENTAENOIC ACID
4Q7 - [nb=2] --> ......1]hept-5-ene-2-sulfonate
6WU - [nb=2] --> .....},4,7-hexahydroinden-1-ol
MYI - [nb=2] --> .....1H-INDOL-3-YL)ACETIC ACID
9LD - [nb=2] --> .....3-carbonyl}amino)benzoate
RJW - [nb=2] --> .....6a-hexahydropentalen-1-ol
7FZ - [nb=2] --> .....2,3-dihydro-1H-inden-1-ol
1GJ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
67S - [nb=2] --> .....l)pyrimidin-5-yl}methanol
JJA - [nb=2] --> .....YL]AMINO}METHYL)BENZAMIDE
CFJ - [nb=2] --> .....l)-3-methylpentanediamide
LNA - [nb=2] --> .....CTADECA-9,12-DIENOIC ACID
4LQ - [nb=2] --> .....phthalen-1-yl-propanamide
HZ3 - [nb=2] --> .....5-DIENE-2,3-DICARBOXYLATE
0KT - [nb=2] --> .....PHENYL)BENZENESULFONAMIDE
5OS - [nb=2] --> .....-phenyl)furan-3-yl]phenol
7G3 - [nb=2] --> .....[1,1'-biphenyl]-4,4'-diol
9NA - [nb=2] --> .....droxycyclohexyl)acetamide
IVM - [nb=2] --> .....-L-arabino-hexopyranoside
HV4 - [nb=2] --> .....ene-1,3-thiazolidin-4-one
7G0 - [nb=2] --> .....yloctahydro-1H-inden-1-ol
1GT - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
7FR - [nb=2] --> .....stra-1,3,5(10)-trien-3-ol
9LS - [nb=2] --> .....(2-fluorophenyl)acetamide
5FV - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
6WQ - [nb=2] --> .....droxyphenyl)methyl]phenol
5K8 - [nb=2] --> .....]cyclohexyl}propanedioate
XD5 - [nb=2] --> .....eptanyl] 4-azanylbenzoate
7ED - [nb=2] --> .....-hydroxyphenyl)pentanoate
IOK - [nb=2] --> .....L-1H-INDOL-3-YL)ACETAMIDE
7EG - [nb=2] --> .....xyimino)methyl][1~1~,2~1~
ODE - [nb=2] --> .....T-5-ENE-2,3-DICARBOXYLATE
5C6 - [nb=2] --> .....t-1-ene-1,1-diyl}diphenol
ORB - [nb=2] --> .....YLISOXAZOLE-4-SULFONAMIDE
961 - [nb=2] --> .....ACETYLAMINO]-BENZOIC ACID
JZS - [nb=2] --> .....1H-INDAZOL-1-YL)BENZAMIDE
6EW - [nb=2] --> .....hyl)benzene-1-sulfonamide
OBM - [nb=2] --> ......1]hept-5-ene-2-sulfonate
F7M - [nb=2] --> .....yl}pyridine-2-carboxamide
KN2 - [nb=2] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
4HD - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
3QQ - [nb=2] --> .....no}pyridine-3-sulfonamide
5K7 - [nb=2] --> .....lidene]cyclohexyl}acetate
MMB - [nb=2] --> .....ROPOXYIMINO)BUTANOIC ACID
7EN - [nb=2] --> .....1lambda~4~-thiophen-1-one
9A0 - [nb=2] --> .....ethyl-N-phenylpropanamide
5G3 - [nb=2] --> .....l)methyl]benzene-1,3-diol
9LP - [nb=2] --> .....clohexyl hydrogen sulfate
30X - [nb=2] --> .....LUOROETHYL)-L-ALANINAMIDE
NRO - [nb=2] --> .....L)FURAN-2-YL]BENZOIC ACID
643 - [nb=2] --> .....-INDOLE-3-CARBOXYLIC ACID
9NJ - [nb=2] --> .....ohexane-1-carboxylic acid
6WR - [nb=2] --> .....exahydro-1~{H}-inden-1-ol
7FL - [nb=2] --> .....ylidenemethylene)diphenol
C08 - [nb=2] --> .....L-KAPPAN}PENTANOATO)BORON
5JY - [nb=2] --> .....dene)methanediyl]diphenol
5FY - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
T98 - [nb=2] --> .....1H-PYRROLE-2-CARBONITRILE
NKS - [nb=2] --> .....LPHENOXY)CARBONYL]GLYCINE
EZT - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
4KM - [nb=2] --> .....(trifluoromethyl)benzoate
GW6 - [nb=2] --> .....17-YL FURAN-2-CARBOXYLATE
1NY - [nb=2] --> .....RBONYL]AMINO}BENZOIC ACID
5G5 - [nb=2] --> .....yl)carbonimidoyl]diphenol
5K0 - [nb=2] --> .....dene)methanediyl]diphenol
21P - [nb=2] --> .....IOXOLAN-2-YL]BENZOIC ACID
6WV - [nb=2] --> .....openta[a]phenanthren-3-ol
LO2 - [nb=2] --> .....3,3-HEXAFLUOROPROPAN-2-OL
OMK - [nb=2] --> .....2-METHYLPHENYL)ETHANAMIDE
85Z - [nb=2] --> .....]PHENYL]PROP-2-ENOIC ACID
F22 - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
4NA - [nb=2] --> .....HYDROXYPHENYL)-2-NAPHTHOL
YFE - [nb=2] --> AMORFRUTIN 1
1HP - [nb=2] --> .....4,5-B]PYRIDIN-6-YL)PHENOL
D7E - [nb=2] --> .....]ETHYL]BENZENESULFONAMIDE
J3Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
CF7 - [nb=2] --> .....pholine-2,4-dicarboxamide
1GS - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
IH5 - [nb=2] --> .....HENOXY]PHENYL}ACETIC ACID
8A4 - [nb=2] --> .....1H-imidazol-5-yl)methanol
I5W - [nb=2] --> .....-phenyl]prop-2-enoic acid
7HA - [nb=2] --> .....-(METHOXYCARBONYL)GLYCINE
0CZ - [nb=2] --> .....PROPANE-2,2-DIYL)DIPHENOL
WOW - [nb=2] --> .....N-3-YL]AMINO}BENZONITRILE
9N1 - [nb=2] --> .....nzimidazol-1-yl]acetamide
9M1 - [nb=2] --> .....,5-b]indole-5-carboxylate
OMM - [nb=2] --> .....INO)-3-FLUOROBENZOIC ACID
5K1 - [nb=2] --> .....dene]methanediyl}diphenol
86V - [nb=2] --> .....nyl)-2H-1-benzopyran-7-ol
7FS - [nb=2] --> .....stra-1(10),2,4-trien-3-ol
NOG - [nb=2] --> .....ETA-HYDROXYGON-4-EN-3-ONE
1GU - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
9N7 - [nb=2] --> .....acetyl]amino}benzoic acid
3K2 - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
L8A - [nb=2] --> .....iperazin-1-yl)ethan-1-one
5HW - [nb=2] --> .....dene]methanediyl}diphenol
1GM - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
15Q - [nb=2] --> .....METHYL]BIPHENYL-4,4'-DIOL
O40 - [nb=2] --> .....BAMOYL]AMINO}BENZOIC ACID
PIZ - [nb=2] --> .....-1,2-DIYL DIHEXADECANOATE
1GQ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
5RT - [nb=2] --> .....thyl]indole-4-sulfonamide
T3O - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
W23 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
7EV - [nb=2] --> .....yl]phenoxy}pentanoic acid
ESL - [nb=2] --> ESTRIOL
K08 - [nb=2] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
DIF - [nb=2] --> .....)AMINO]BENZENEACETIC ACID
7FO - [nb=2] --> ......1]hept-5-ene-2-sulfonate
789 - [nb=2] --> .....OXYPHENYL)-1H-INDEN-1-ONE
29M - [nb=2] --> .....L-7-YL]METHANESULFONAMIDE
OB8 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
782 - [nb=2] --> .....}phenyl)prop-2-enoic acid
SFI - [nb=2] --> .....]inden-1-yl]ethanoic acid
RHN - [nb=2] --> .....HRACENE-2-CARBOXYLIC ACID
OKI - [nb=2] --> .....,2-DICYCLOHEXYLETHANAMIDE
D9N - [nb=2] --> .....n-2-yl]oxymethyl]benzoate
7JY - [nb=2] --> .....yl]phenoxy}heptanoic acid
3SX - [nb=2] --> .....-phenylmethanesulfonamide
LX2 - [nb=2] --> .....1H-INDOL-1-YL]ACETIC ACID
5HE - [nb=2] --> .....,11,14,17-PENTAENOIC ACID
T73 - [nb=2] --> .....an-2-yl 4-hydroxybenzoate
17M - [nb=2] --> .....17-ALPHA-DIHYDROEQUILENIN
9HO - [nb=2] --> .....TADECA-10,12-DIENOIC ACID
27M - [nb=2] --> .....DIHYDROXYPHENYL)METHANONE
9RA - [nb=2] --> .....2-YL)ETHENYL]BENZOIC ACID
5KD - [nb=2] --> .....dene]methanediyl}diphenol
CHD - [nb=2] --> CHOLIC ACID
5DG - [nb=2] --> .....p-1-ene-1,1-diyl)diphenol
OFB - [nb=2] --> ......1]hept-5-ene-2-sulfonate
C6V - [nb=2] --> .....)phenyl]prop-2-enoic acid
OBT - [nb=2] --> .....]hept-5-ene-2-sulfonamide
7FQ - [nb=2] --> .....,3,5(10)-triene-3,17-diol
36M - [nb=2] --> propyl 4-hydroxybenzoate
5OR - [nb=2] --> .....midazo[1,2-a]pyridin-6-ol
0L8 - [nb=2] --> .....DROXYMETHYL)BIPHENYL-4-OL
5DH - [nb=2] --> .....2-phenylprop-2-enenitrile
GFV - [nb=2] --> .....droxy Pioglitazone (M-IV)
5J2 - [nb=2] --> .....l)methyl]benzene-1,3-diol
AXY - [nb=2] --> .....yl-4-yloxy)propanoic acid
90C - [nb=2] --> .....phenyl]pent-1-enyl]phenol
LLB - [nb=2] --> .....L)ETHOXY]PHENYL}METHANONE
OB1 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
5CE - [nb=2] --> .....yloctahydro-1H-inden-1-ol
OBC - [nb=2] --> ......1]hept-5-ene-2-sulfonate
5KE - [nb=2] --> .....dene]methanediyl}diphenol
6WT - [nb=2] --> .....hlorophenyl)ethyl]benzene
HC3 - [nb=2] --> 25-HYDROXYCHOLESTEROL
5G4 - [nb=2] --> .....o]methyl}benzene-1,3-diol
7FJ - [nb=2] --> .....lidene)methylene]diphenol
1GR - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
EI1 - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
WST - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-9-OL
458 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
7EO - [nb=2] --> .....1lambda~4~-thiophen-1-one
G91 - [nb=2] --> .....][1]benzoxepine-5,11-diol
DRQ - [nb=2] --> .....,3,5(10)-TRIENE-3,17-DIOL
9XY - [nb=2] --> Endoxifen
7ES - [nb=2] --> .....-diyl)bis(3-fluorophenol)
697 - [nb=2] --> .....BENZOFURAN-7-CARBONITRILE
5G7 - [nb=2] --> .....yl)carbonimidoyl]diphenol
YJD - [nb=2] --> .....YBENZIMIDAZOL-1-YL)PHENOL
77W - [nb=2] --> .....]phenyl}prop-2-enoic acid
6QP - [nb=2] --> .....benzoxazin-6-yl]benzamide
XX9 - [nb=2] --> .....-(DIMETHYLAMINO)BENZAMIDE
5CJ - [nb=2] --> .....l)octahydro-1H-inden-1-ol
E3V - [nb=2] --> .....yl]cyclobutyl}acetic acid
470 - [nb=2] --> .....YDROPENTALEN-3A(1H)-AMINE
OCX - [nb=2] --> .....5,9,11,14-TETRAENOIC ACID
CFG - [nb=2] --> .....1,2-oxazole-5-carboxamide
196 - [nb=2] --> .....-HYDROXY-1-NAPHTHONITRILE
3EA - [nb=2] --> .....]INDOL-1-YL}ETHANOIC ACID
7KK - [nb=2] --> .....uorobenzene-1-sulfonamide
9MS - [nb=2] --> .....N,2-dicyclohexylacetamide
85M - [nb=2] --> .....ydro-2H-1-benzopyran-7-ol
9N4 - [nb=2] --> .....-dimethylphenyl)acetamide
QSO - [nb=2] --> .....yphenyl)-4H-chromen-4-one
Q97 - [nb=2] --> .....t-1-ene-1,2-diyl]diphenol
CO1 - [nb=2] --> .....OPENTA[A]PHENANTHREN-3-OL
5K5 - [nb=2] --> .....idenemethanediyl]diphenol
7K6 - [nb=2] --> .....yl]phenoxy}heptanoic acid
O90 - [nb=2] --> .....LFANYL]PHENYL}ACETIC ACID
041 - [nb=2] --> .....VINYL-1,3-BENZOXAZOL-5-OL
LLC - [nb=2] --> .....YLETHOXY)PHENYL]METHANONE
CTM - [nb=2] --> .....L)-2-ETHOXYPROPANOIC ACID
C03 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
6WS - [nb=2] --> .....enyl]-4-chloranyl-benzene
31D - [nb=2] --> .....ENZOYL}AMINO)BENZOIC ACID
5KG - [nb=2] --> .....dene]methanediyl}diphenol
5CK - [nb=2] --> .....yloctahydro-1H-inden-1-ol
9LJ - [nb=2] --> .....yl)-2-cyclohexylacetamide
4OH - [nb=2] --> .....-TRIENE-3,15,16,17-TETROL
Q6Y - [nb=2] --> .....-pyrimidine-5-carboxamide
F3D - [nb=2] --> .....o]-N,N-dimethylbutanamide
XBR - [nb=2] --> .....L-2(9H)-YL)PROPANOIC ACID
6WL - [nb=2] --> .....zol-3-yl]benzene-1,3-diol
RO7 - [nb=2] --> .....OPHEN-7-YL}PROPANOIC ACID
7G2 - [nb=2] --> .....[1,1'-biphenyl]-4,4'-diol
61X - [nb=2] --> .....TRIFLUOROMETHYL)QUINOLINE
5J0 - [nb=2] --> .....droxyphenyl)methyl]phenol
6Y4 - [nb=2] --> .....l)pyrimidin-5-yl]methanol
5CC - [nb=2] --> .....t-1-ene-1,1-diyl}diphenol
EEY - [nb=2] --> .....N-(pyridin-4-yl)benzamide
OBB - [nb=2] --> ......1]hept-5-ene-2-sulfonate
7ER - [nb=2] --> .....da~6~-thiophene-1,1-dione
9LA - [nb=2] --> .....ohexylethoxy}benzoic acid
7M1 - [nb=2] --> .....nyl 4,4''-dihydroxy-[1,1'
7FG - [nb=2] --> .....thyl}phenyl)prop-2-enoate
9MD - [nb=2] --> .....[(2S)-oxan-2-yl]acetamide
5HZ - [nb=2] --> .....idenemethanediyl]diphenol
7M7 - [nb=2] --> .....nyl 4,4''-dihydroxy-[1,1'
KNA - [nb=2] --> NONANOIC ACID
DGX - [nb=2] --> DIGOXIN
27E - [nb=2] --> CHLORDECONE
5FT - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
OOK - [nb=2] --> .....-3,5-DIFLUOROBENZOIC ACID
538 - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
PFA - [nb=2] --> .....ETHYL-PHENYL]-6-AZAURACIL
5C9 - [nb=2] --> .....t-1-ene-1,1-diyl)diphenol
SRO - [nb=2] --> SEROTONIN
ZER - [nb=2] --> .....tetradecine-1,7(8H)-dione
BXG - [nb=2] --> .....in-4-yl)-5-nitrobenzamide
9MY - [nb=2] --> .....droxycyclohexyl)acetamide
7FP - [nb=2] --> ......1]hept-5-ene-2-sulfonate
6Y8 - [nb=2] --> .....dropyrrolo[3,4-c]pyrazole
064 - [nb=2] --> .....enyl)ethenyl]benzoic acid
XPT - [nb=2] --> .....AMBDA~4~-SULFANYL]PROPANE
36J - [nb=2] --> .....zoxacyclotetradecin-1-one
5C8 - [nb=2] --> .....p-1-ene-1,1-diyl]diphenol
NZA - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
4Q9 - [nb=2] --> ......1]hept-5-ene-2-sulfonate
J2Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
9MM - [nb=2] --> .....oxy}-3-fluorobenzoic acid
FSV - [nb=2] --> .....)ETHENYL]BENZENE-1,3-DIOL
9ND - [nb=2] --> .....lohexyl-N-phenylacetamide
SF1 - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
7E1 - [nb=2] --> .....l]phenyl}hex-5-enoic acid
7M4 - [nb=2] --> .....l]phenyl}hex-5-enoic acid
K09 - [nb=2] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
FEZ - [nb=2] --> .....en-1-yl 4-hydroxybenzoate
GOL - [nb=2] --> GLYCEROL
5K2 - [nb=2] --> .....idenemethanediyl)diphenol
9LY - [nb=2] --> .....nzimidazol-1-yl}acetamide
SF2 - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
5FS - [nb=2] --> .....da~6~-thiophene-1,1-dione
LUF - [nb=2] --> .....-5-HYDROXYFURAN-2(5H)-ONE
27G - [nb=2] --> .....BENZENE-1,2-DICARBOXYLATE
ESE - [nb=2] --> .....YLOCTAHYDRO-1H-INDEN-1-OL
6WP - [nb=2] --> ......1]hept-5-ene-2-sulfonate
5G6 - [nb=2] --> .....nylcarbonimidoyl)diphenol
86Y - [nb=2] --> .....nyl)-2H-1-benzopyran-7-ol
OLF - [nb=2] --> .....INO)-3-METHYLBENZOIC ACID
SP3 - [nb=2] --> .....METHYL)BENZENESULFONAMIDE
FNJ - [nb=2] --> .....lbutane-1,2-diyl]diphenol
66B - [nb=2] --> .....,15,18,21-PENTAENOIC ACID
27N - [nb=2] --> .....OETHANE-1,1-DIYL)DIPHENOL
27K - [nb=2] --> BUTYL 4-HYDROXYBENZOATE
5P1 - [nb=2] --> .....midazo[1,2-a]pyridin-6-ol
3AS - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
EED - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
JYI - [nb=2] --> .....2-YL)ETHENYL]BENZOIC ACID
5CQ - [nb=2] --> .....yloctahydro-1H-inden-1-ol
6QW - [nb=2] --> .....phenyl-methanesulfonamide
NIW - [nb=2] --> .....yridine-3,5-dicarboxylate
5HX - [nb=2] --> .....dene(phenyl)methyl]phenol
ENM - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
PLM - [nb=1] --> PALMITIC ACID
7MV - [nb=1] --> .....]-1H-indole-5-carboxamide
BMS - [nb=1] --> .....ONYL)-AMINO]-BENZOIC ACID
735 - [nb=1] --> .....YL}PHENOXY)PROPANOIC ACID
RRH - [nb=1] --> .....L-4-YL]OXY}PROPANOIC ACID
P26 - [nb=1] --> .....IOXOLAN-2-YL]BENZOIC ACID
LD2 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
OEF - [nb=1] --> .....OPYL-PHENOXY)BENZOIC ACID
DRF - [nb=1] --> .....OXY]PHENYL}PROPANOIC ACID
71W - [nb=1] --> .....6a-hexahydropentalen-1-ol
C3D - [nb=1] --> .....TETRAHYDRONAPHTHALEN-2-OL
PIK - [nb=1] --> .....-1,2-DIYL DIHEXADECANOATE
B9T - [nb=1] --> .....bis(fluoranyl)propanamide
XDI - [nb=1] --> .....IYLBIS(2,6-DIBROMOPHENOL)
92A - [nb=1] --> .....2-yl]-4-methylpentanamide
RFP - [nb=1] --> RIFAMPICIN
BGV - [nb=1] --> .....[6,5-B]FURAN-4-YL ACETATE
2QO - [nb=1] --> .....YL-3-YL]PROP-2-ENOIC ACID
FJG - [nb=1] --> .....obutane-1-carboxylic acid
4Y5 - [nb=1] --> .....-yl}-3-fluorobenzoic acid
B9W - [nb=1] --> .....yl-butan-2-yl]propanamide
CDZ - [nb=1] --> .....)CYCLOHEXA-2,4-DIEN-1-ONE
M7S - [nb=1] --> .....HYL}PHENYL)PROPANOIC ACID
LGB - [nb=1] --> .....INO}-3-METHYLBENZONITRILE
3TN - [nb=1] --> .....-2-YL)PHENYL]ACRYLIC ACID
5TN - [nb=1] --> .....-2-YL)PHENYL]ACRYLIC ACID
GLC - [nb=1] --> SUGAR (ALPHA-D-GLUCOSE)
7QN - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
CV7 - [nb=1] --> .....ESISOBUYTYRYL CICLESONIDE
QZQ - [nb=1] --> Betulinic Acid
FT7 - [nb=1] --> .....]-1H-indole-5-carboxamide
59G - [nb=1] --> .....IOPHENE-3-CARBOXYLIC ACID
K10 - [nb=1] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
VYI - [nb=1] --> .....-1,4-BENZOXAZEPIN-6-AMINE
HCJ - [nb=1] --> .....olo[3,2-a]pyrimidin-7-one
EEU - [nb=1] --> .....RIDINIUM TETRAACETIC ACID
BJB - [nb=1] --> .....-indol-2-yl]butanoic acid
CM3 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
79U - [nb=1] --> .....indazol-1-yl]benzoic acid
LX8 - [nb=1] --> .....-2-YL]PROPAN-2-YL ACETATE
ECV - [nb=1] --> .....l]-~{N}-methyl-ethanamide
B1O - [nb=1] --> .....2-yl]methoxy]benzoic acid
2VP - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
CA4 - [nb=1] --> CYPROTERONE ACETATE
088 - [nb=1] --> .....-1-YL)METHYL]BENZOIC ACID
E4D - [nb=1] --> .....ENZO[B][1,4]OXATHIIN-6-OL
17H - [nb=1] --> .....PREGNA-4,9,11-TRIEN-3-ONE
DKA - [nb=1] --> DECANOIC ACID
MEI - [nb=1] --> .....YLDODECA-2,4-DIENOIC ACID
8W8 - [nb=1] --> .....yl)propan-2-yl]ethanamide
Q35 - [nb=1] --> .....]-2-methyl-propanoic acid
37G - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
43M - [nb=1] --> 4-CHLORO-3-METHYLPHENOL
1O8 - [nb=1] --> .....LOCTA-2,4,6-TRIENOIC ACID
E3O - [nb=1] --> .....(10)-TRIENE-3,16,17-TRIOL
C0R - [nb=1] --> CORTICOSTERONE
WFF - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
LU2 - [nb=1] --> .....IHYDROXY-4H-CHROMEN-4-ONE
5IM - [nb=1] --> .....INYL)-1,3-THIAZOL-4-AMINE
Z12 - [nb=1] --> .....PHENYL]BENZENESULFONAMIDE
6QG - [nb=1] --> .....20,23-octaene-17,17-dione
R4M - [nb=1] --> .....ENE]OCTA-2,6-DIENOIC ACID
9LV - [nb=1] --> .....H)-yl}methyl)benzoic acid
9NG - [nb=1] --> .....ylthiophene-2-sulfonamide
CTI - [nb=1] --> .....,6-c]phenanthridin-12-ium
8Y2 - [nb=1] --> .....)thiophen-2-yl]ethanamide
P0E - [nb=1] --> PHOSPHATIDYL ETHANOL
MGZ - [nb=1] --> .....HYL)PHENOXY]ETHANOIC ACID
208 - [nb=1] --> .....L)-2-ETHOXYPROPANOIC ACID
OB7 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
A2K - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
77T - [nb=1] --> .....-yl]-3-methylbenzonitrile
8W5 - [nb=1] --> .....}]icosa-14,17-dien-16-one
IL2 - [nb=1] --> .....H)-YLIDENE]PENTANOIC ACID
YRG - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
ORC - [nb=1] --> .....YLISOXAZOLE-4-SULFONAMIDE
KE9 - [nb=1] --> .....-1-YL)PHENYL)ACRYLIC ACID
4TN - [nb=1] --> .....YDROXYPHENYL]ACRYLIC ACID
IU5 - [nb=1] --> ISO-URSODEOXYCHOLIC ACID
13M - [nb=1] --> .....THYL}BENZYL)BUTANOIC ACID
HFN - [nb=1] --> .....-1,4-benzoxazin-3(4H)-one
QHG - [nb=1] --> .....]PHENYL]PROP-2-ENOIC ACID
O62 - [nb=1] --> .....THALENE-1-CARBOXYLIC ACID
EWN - [nb=1] --> .....~{H}-1,4-benzoxazin-3-one
B9Q - [nb=1] --> .....l]cyclopropanecarboxamide
B67 - [nb=1] --> .....FLUOROPHENOXY)PROPANAMIDE
JJB - [nb=1] --> .....yl]amino}methyl)benzamide
B68 - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
J53 - [nb=1] --> .....THYL]BENZYL}BUTANOIC ACID
ZAA - [nb=1] --> .....-TRIAZOL-4-YL)ACETIC ACID
P88 - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
93R - [nb=1] --> .....yridine-3,5-dicarboxylate
OB6 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
652 - [nb=1] --> .....IMIDAZOL-4-YL}PROPAN-2-OL
H8W - [nb=1] --> .....-yl]phenyl]propanoic acid
754 - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
034 - [nb=1] --> .....-INDOLE-2-CARBOXYLIC ACID
NN7 - [nb=1] --> .....METHYL-BENZENESULFONAMIDE
C01 - [nb=1] --> .....ISOXAZOL-6-YL)OXY]ACETATE
4KQ - [nb=1] --> .....enyl]phenyl]ethanoic acid
L79 - [nb=1] --> .....AN-2-YL]-2-PROPENOIC ACID
87J - [nb=1] --> .....hyl)pyridin-3-yl]methanol
M0T - [nb=1] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
4CZ - [nb=1] --> .....,3-thiazol-2-yl}acetamide
DAY - [nb=1] --> .....L-1-YL]-2-HYDROXYETHANONE
EKS - [nb=1] --> .....y}-2-methylpropanoic acid
L92 - [nb=1] --> .....YRROL-1-YL)PROPANOIC ACID
21L - [nb=1] --> .....APHTHALEN-2-YL}PROPANOATE
FCM - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
ZK5 - [nb=1] --> 9ALPHA-FLUOROCORTISOL
6QE - [nb=1] --> .....yclopropane-1-sulfonamide
J35 - [nb=1] --> .....HYL)BENZYL]PENTANOIC ACID
6OB - [nb=1] --> .....CTADECA-8,12-DIENOIC ACID
P42 - [nb=1] --> .....YLAMMONIO)ETHYL PHOSPHATE
184 - [nb=1] --> .....HTALENE-2-CARBOXYLIC ACID
LGD - [nb=1] --> .....METHYL)QUINOLIN-2(1H)-ONE
98E - [nb=1] --> .....lpyrimidine-5-carboxamide
254 - [nb=1] --> .....HTALENE-2-CARBOXYLIC ACID
B66 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
2Q4 - [nb=1] --> .....YDROXY-3-METHYLBUTANAMIDE
KK4 - [nb=1] --> .....1,2,4-oxadiazol-5(4H)-one
PTI - [nb=1] --> .....TRAHYDRO-ISOQUINOLIN-6-OL
0W3 - [nb=1] --> .....-DIOXODOCOS-16-ENOIC ACID
A7W - [nb=1] --> 8-AMINO-3-QUINOLINOL
77U - [nb=1] --> .....-yl]-3-methylbenzonitrile
BKY - [nb=1] --> .....enoxy}methyl)benzoic acid
442 - [nb=1] --> .....XY)PHENYL]ETHANE-1,1-DIOL
DRY - [nb=1] --> .....NDOL-5-YL)OXY]ACETIC ACID
J0W - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
927 - [nb=1] --> .....yl}amino]phenyl}benzamide
YTZ - [nb=1] --> .....L-2-YL)BENZENESULFONAMIDE
2PQ - [nb=1] --> .....Y]-2-METHYLPROPANOIC ACID
T44 - [nb=1] --> .....,5'-TETRAIODO-L-THYRONINE
8Y8 - [nb=1] --> .....sulfonylphenyl)ethanamide
51Y - [nb=1] --> .....ino}-3-methylbenzonitrile
89P - [nb=1] --> .....INOLINE-2-CARBOXYLIC ACID
BWE - [nb=1] --> .....sulfonylphenyl)ethanamide
EK8 - [nb=1] --> .....POXYPHENYL]PROPANOIC ACID
9M4 - [nb=1] --> .....ino)-2-oxoethyl]benzamide
4P1 - [nb=1] --> .....n-6-yl]-N-methylbenzamide
2VZ - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
4CU - [nb=1] --> .....)phenyl]prop-2-enoic acid
EHA - [nb=1] --> .....1H-INDOL-1-YL)ACETIC ACID
D5H - [nb=1] --> .....pentene-1-carboxylic acid
EQN - [nb=1] --> .....RBONYL]AMINO}BENZOIC ACID
5VN - [nb=1] --> Caulophyllogenin
9MV - [nb=1] --> .....H)-yl}methyl)benzoic acid
CEK - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
14R - [nb=1] --> .....IDAZO[4,5-C]PYRIDIN-4-ONE
2S0 - [nb=1] --> .....HENANTHREN-17-YL] ACETATE
EK1 - [nb=1] --> .....HYL)PHENYL]PROPANOIC ACID
XD4 - [nb=1] --> .....-azanyl-3-methyl-benzoate
T35 - [nb=1] --> .....]-2-methyl-propanoic acid
7VA - [nb=1] --> .....,3-thiazolidine-2,4-dione
29V - [nb=1] --> .....ENE]OCTA-3,6-DIENOIC ACID
FBR - [nb=1] --> .....TRAHYDRO-3H-FLUOREN-3-ONE
93O - [nb=1] --> .....yridine-3,5-dicarboxylate
D30 - [nb=1] --> .....ALEN-1-YL)OXY]ACETIC ACID
9GS - [nb=1] --> .....dine]-1'(2'H)-carboxamide
MSZ - [nb=1] --> .....HYL)PHENOXY]ETHANOIC ACID
DR9 - [nb=1] --> .....OYL PHOSPHATIDYL GLYCEROL
PNU - [nb=1] --> .....ANYL)-PYRIMIDIN-4-YLAMINE
056 - [nb=1] --> .....LFANYLMETHYL]BENZOIC ACID
J57 - [nb=1] --> .....)phenyl]prop-2-enoic acid
JN3 - [nb=1] --> CHENODEOXYCHOLIC ACID
OKH - [nb=1] --> .....IDAZOLE-6-CARBOXYLIC ACID
564 - [nb=1] --> .....HTALENE-2-CARBOXYLIC ACID
T51 - [nb=1] --> .....)phenyl]-3-nitrobenzamide
1BA - [nb=1] --> .....OPYLBENZYL)BENZOHYDRAZIDE
9LM - [nb=1] --> .....-c]pyridine-1-carboxamide
BHM - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
9L1 - [nb=1] --> .....ene-1,3-dicarboxylic acid
8Y5 - [nb=1] --> .....sulfonylphenyl)ethanamide
KB0 - [nb=1] --> .....yl-3-phenyl-1H-inden-5-ol
DKD - [nb=1] --> .....)-3-PHENYL-PROPANOIC ACID
3B6 - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
P3A - [nb=1] --> .....LGLYCEROL-PHOSPHOGLYCEROL
T53 - [nb=1] --> .....)phenyl]-3-nitrobenzamide
JAD - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
RB1 - [nb=1] --> .....IMIDIN-3-YL)METHYL]PHENOL
LD1 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
OB4 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
AIU - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
9NM - [nb=1] --> .....uorophenyl)prop-2-enamide
394 - [nb=1] --> .....ACETYLAMINO]-BENZOIC ACID
HC2 - [nb=1] --> 20-HYDROXYCHOLESTEROL
B0X - [nb=1] --> .....2-yl]methoxy]benzoic acid
EY8 - [nb=1] --> .....n-3-yl]methanesulfonamide
ZXG - [nb=1] --> .....L]PHENYL HYDROGEN SULFATE
3RB - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
EYN - [nb=1] --> .....l]-~{N}-methyl-ethanamide
4TU - [nb=1] --> .....HYDROINDOLE-1-CARBOXAMIDE
GRR - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
TLS - [nb=1] --> .....IPHENYL-2-CARBOXYLIC ACID
8Y0 - [nb=1] --> .....ec-3-en-1-ylidene]glycine
7BE - [nb=1] --> .....omene]-6'-carboxylic acid
NSI - [nb=1] --> .....]-1H-INDOLE-2-CARBOXAMIDE
M7R - [nb=1] --> .....HYL}PHENYL)PROPANOIC ACID
RTE - [nb=1] --> .....2-yl]methoxy}benzoic acid
KRC - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
HXA - [nb=1] --> .....0,13,16,19-HEXAENOIC ACID
43V - [nb=1] --> .....sulfonyl)phenyl]acetamide
XCX - [nb=1] --> .....Y)-2-METHYLPROPANOIC ACID
T65 - [nb=1] --> .....idene)amino]ethanoic acid
AIJ - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
4XW - [nb=1] --> .....14-decahydroretinoic acid
RRG - [nb=1] --> .....L-4-YL]OXY}PROPANOIC ACID
GQD - [nb=1] --> .....]PHENYL]PROP-2-ENOIC ACID
WLM - [nb=1] --> .....YL]PHENYL]ETHYL]BENZAMIDE
ARL - [nb=1] --> .....LOCTA-2,4,6-TRIENOIC ACID
17L - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
3SW - [nb=1] --> .....LOCTA-2,4,6-TRIENOIC ACID
TMY - [nb=1] --> .....-6-OCTANOYLPHENYL)ACETATE
8XO - [nb=1] --> .....idene)amino]ethanoic acid
CLR - [nb=1] --> CHOLESTEROL
7ET - [nb=1] --> ......1]hept-5-ene-2-sulfonate
9MA - [nb=1] --> .....azo[1,2-a]pyridin-3-amine
AS4 - [nb=1] --> ALDOSTERONE
SJZ - [nb=1] --> .....-phenyl]prop-2-enoic acid
4Y6 - [nb=1] --> .....x-3-ene-1-carboxylic acid
LG7 - [nb=1] --> .....(3H)-YL]-1-NAPHTHONITRILE
2OH - [nb=1] --> .....-PROPANE-2,2-DIYLDIPHENOL
REW - [nb=1] --> .....ETIDINE-2-CARBOXYLIC ACID
3SV - [nb=1] --> .....3,7-DIMETHYLOCTANOIC ACID
RLJ - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
R8C - [nb=1] --> .....ENYLPROPAN-2-YL]ACETAMIDE
AOE - [nb=1] --> .....-YL]-N-METHYLUNDECANAMIDE
STE - [nb=1] --> STEARIC ACID
HID - [nb=1] --> .....1H-INDOL-3-YL)ACETIC ACID
HC9 - [nb=1] --> .....)-CHOLEST-5-ENE-3,22-DIOL
5FB - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
97A - [nb=1] --> .....fluoromethyl)benzonitrile
HEM - [nb=1] --> .....ORPHYRIN IX CONTAINING FE
LSJ - [nb=1] --> .....PHENYL}METHANESULFONAMIDE
PK0 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
IOG - [nb=1] --> .....)-1H-INDOL-3-YL]ACETAMIDE
MON - [nb=1] --> .....N-2-YL]AMINO}ETHYL)PHENOL
82X - [nb=1] --> .....HIOPHEN-2-YL)BENZOIC ACID
4Y7 - [nb=1] --> .....oro-2-hydroxybenzoic acid
8NH - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
9FG - [nb=1] --> .....1H-pyrrole-2-carbonitrile
RTF - [nb=1] --> .....2-yl]methoxy]benzoic acid
OB5 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
708 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
7O0 - [nb=1] --> .....]phenyl]prop-2-enoic acid
B5R - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
8N6 - [nb=1] --> .....,3-thiazolidine-2,4-dione
G58 - [nb=1] --> .....H-IMIDAZOLE-4-SULFONAMIDE
2W0 - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
4R8 - [nb=1] --> .....,13,16,19-PENTAENOIC ACID
2VR - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
2E3 - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
9O1 - [nb=1] --> .....1,2-oxazole-4-carboxamide
DRJ - [nb=1] --> .....XY)-2-METHYLBUTANOIC ACID
RO0 - [nb=1] --> .....-1-YL]METHYL}ISOQUINOLINE
EKP - [nb=1] --> .....l}-2-methylpropanoic acid
YNU - [nb=1] --> eplerenone
FEX - [nb=1] --> .....HYL}AMINO]PHENYL}ACRYLATE
3E7 - [nb=1] --> .....]-1H-INDOLE-5-CARBOXAMIDE
6Q0 - [nb=1] --> .....methyl]benzenesulfonamide
ET0 - [nb=1] --> .....INDOL-3-YL)PROPANOIC ACID
921 - [nb=1] --> .....idin-4-yl)cyclohexyl]urea
3T2 - [nb=1] --> .....]OCTA-2,4,6-TRIENOIC ACID
CID - [nb=1] --> .....(3,4-DICHLOROBENZYL)OXIME
L4G - [nb=1] --> .....Y)PHENOXY]NAPHTHALEN-2-OL
3WF - [nb=1] --> Ethinyl estradiol
TCE - [nb=1] --> .....ANETRIYLTRIPROPANOIC ACID
VQI - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
F7J - [nb=1] --> .....l-1H-indol-5-yl}benzamide
AIH - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
0X0 - [nb=1] --> .....hylpentan-3-yl)ethanamide
G24 - [nb=1] --> .....METHYLPHENOXY]ACETIC ACID
9LG - [nb=1] --> .....-c]pyridine-2-carboxamide
CM4 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
9M7 - [nb=1] --> .....1,2-oxazole-4-carboxamide
6OC - [nb=1] --> .....CTADECA-9,12-DIENOIC ACID
6Q7 - [nb=1] --> .....pyrazol-3-yl}benzoic acid
DRD - [nb=1] --> .....Y]-2-METHYLPROPANOIC ACID
RLL - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
ZZH - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
COH - [nb=1] --> .....ORPHYRIN IX CONTAINING CO
B05 - [nb=1] --> .....)phenyl]-3-nitrobenzamide
156 - [nb=1] --> .....L)-PROPENYL]-BENZOIC ACID
4CX - [nb=1] --> .....sulfonyl)phenyl]acetamide
GW4 - [nb=1] --> .....Y]PHENYL}PROPYL]ACETAMIDE
E9T - [nb=1] --> .....thalene-2-carboxylic acid
SP0 - [nb=1] --> .....L-5-YL]BENZENESULFONAMIDE
AIT - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
24L - [nb=1] --> .....THALEN-2-YL}BUTANOIC ACID
635 - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
PK1 - [nb=1] --> .....-THIOXOIMIDAZOLIDIN-4-ONE
3WG - [nb=1] --> Trans-nonachlor
6BH - [nb=1] --> .....)phenyl]-3-nitrobenzamide
WFG - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
PLC - [nb=1] --> .....ECYL PHOSPHATIDYL CHOLINE
5LO - [nb=1] --> .....-trien-11-yl]benzoic acid
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
H_NR3A1_ERa
502
100%
0.34
PF00105
C1_S1
538 -
(0)
20
132
/
327
/
43
221
2
H_NR1C3_PPARg
247
100%
0.44
PF00105
C1_S1
296 -
(0)
20
82
/
84
/
78
150
3
H_NR1F3_RORg
155
100%
0.29
PF00105
C1_S1
178 -
(0)
20
82
/
59
/
14
74
4
H_NR1C2_PPARb
58
100%
0.49
PF00105
C1_S1
135 -
(0)
10
- / - /
37
4
5
H_NR1H4_FXR
126
100%
0.33
PF00105
C1_S1
129 -
(0)
20
102
/
15
/
9
75
6
H_NR3C4_ANDR
97
100%
0.21
-
C1_S1
110 -
(0)
20
6
/
77
/
14
35
7
H_NR2B1_RXRa
89
100%
0.38
PF00105
C1_S1
94 -
(0)
20
23
/
50
/
11
44
8
H_NR3C1_GCR
44
99%
0.20
PF00105
C1_S1
77 -
(0)
20
22
/
15
/
8
18
9
H_NR3A2_ERb
68
100%
0.28
PF00105
C1_S1
77 -
(0)
20
3
/
53
/
12
30
10
H_NR3C2_MCR
35
99%
0.16
PF00105
C1_S1
41 -
(0)
20
9
/
26
/
1
20
11
H_NR1H2_LXRb
32
100%
0.45
PF00105
C1_S1
39 -
(0)
20
19
/
8
/
3
14
12
H_NR3C3_PRGR
33
100%
0.23
PF00105
C1_S1
35 -
(0)
20
8
/
25
/ -
16
13
H_NR4A1_NGFIB
27
100%
0.27
PF00105
C1_S1
29 -
(0)
3
- / - /
3
2
14
H_NR1C1_PPARa
26
100%
0.48
PF00105
C1_S1
27 -
(0)
20
13
/
10
/
3
17
15
H_NR1I2_PXR
25
100%
0.42
PF00105
C1_S1
26 -
(0)
19
3
/
18
/
4
13
16
H_NR5A2_LRH1
18
100%
0.27
PF00105
C1_S1
24 -
(0)
14
13
/
5
/ -
8
17
H_NR3B3_ERRg
21
100%
0.32
PF00105
C1_S1
23 -
(0)
14
3
/
14
/
3
8
18
H_NR1A2_THRb
22
100%
0.29
PF00105
C1_S1
22 -
(0)
14
7
/
15
/ -
9
19
H_NR1H3_LXRa
15
100%
0.37
PF00105
C1_S1
15 -
(0)
20
11
/
4
/ -
9
20
H_NR1B2_RARb
14
100%
0.32
PF00105
C1_S1
14 -
(0)
19
9
/
5
/ -
5
21
H_NR1B3_RARg
10
100%
0.45
PF00105
C1_S1
10 -
(0)
16
8
/
2
/ -
9
22
H_NR1B1_RARa
8
100%
0.30
PF00105
C1_S1
9 -
(0)
18
5
/
1
/
2
6
23
H_NR5A1_STF1
8
99%
0.32
PF00105
C1_S1
8 -
(0)
17
8
/ - / -
6
24
H_NR1A1_THRa
8
100%
0.22
PF00105
C1_S1
8 -
(0)
11
- /
8
/ -
4
25
H_NR2A1_HNF4a
6
100%
0.28
PF00105
C1_S1
6 -
(0)
5
- /
2
/
4
2
26
H_NR1F1_RORa
4
100%
0.36
PF00105
C1_S1
6 -
(0)
19
2
/
2
/ -
3
27
H_NR2B2_RXRb
5
100%
0.30
PF00105
C1_S1
5 -
(0)
12
4
/ - /
1
2
28
H_NR1F2_RORb
3
98%
0.44
PF00105
C1_S1
3 -
(0)
18
- /
3
/ -
3
29
H_NR3B1_ERRa
3
100%
0.28
PF00105
C1_S1
3 -
(0)
13
2
/
1
/ -
2
30
H_NR1D2_REVb
2
99%
0.23
-
C2_S1
2 -
(0)
2
2
/ - / -
2
31
H_NR2A2_HNF4g
1
100%
0.24
PF00105
C1_S1
1 -
(0)
4
- /
1
/ -
1
32
H_NR1I3_CAR
1
98%
0.41
PF00105
C1_S1
1 -
(0)
2
1
/ - / -
1
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