Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I90_2019M4 (2019 - Homo sapiens - Human family of nuclear receptors)
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DB.fasta
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Full name of ligand selected in the comparative docking column:
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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=49] --> ESTRADIOL
DHT - [nb=29] --> DIHYDROTESTOSTERONE
B7G - [nb=29] --> .....YL-BETA-D-GLUCOPYRANOSIDE
REA - [nb=23] --> RETINOIC ACID
444 - [nb=15] --> .....PHENYL}BENZENESULFONAMIDE
OHT - [nb=12] --> 4-HYDROXYTAMOXIFEN
DEX - [nb=10] --> DEXAMETHASONE
STR - [nb=9] --> PROGESTERONE
486 - [nb=9] --> .....PENTA[A]PHENANTHREN-3-ONE
TES - [nb=8] --> TESTOSTERONE
9CR - [nb=8] --> (9cis)-retinoic acid
EPH - [nb=8] --> .....-PHOSPHATIDYLETHANOLAMINE
198 - [nb=8] --> R-BICALUTAMIDE
DES - [nb=8] --> DIETHYLSTILBESTROL
4HY - [nb=7] --> .....IIODO-PHENYL]-ACETIC ACID
KN1 - [nb=6] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
CPS - [nb=6] --> .....MONIO]-1-PROPANESULFONATE
R18 - [nb=6] --> .....LESTRA-4,9,11-TRIEN-3-ONE
EDK - [nb=6] --> .....enyl]amino]propanoic acid
I0G - [nb=6] --> .....CYCLOPENTA[C]CHROMEN-8-OL
1CA - [nb=6] --> DESOXYCORTICOSTERONE
IMN - [nb=6] --> INDOMETHACIN
T3 - [nb=5] --> 3,5,3'TRIIODOTHYRONINE
PTG - [nb=5] --> .....,12,14-TETRAEN-1-OIC ACID
GW5 - [nb=5] --> .....-ENYL]PHENYL}ACRYLIC ACID
KN3 - [nb=5] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
OLA - [nb=5] --> OLEIC ACID
GEN - [nb=5] --> GENISTEIN
TXF - [nb=5] --> .....-PHENYLPENT-1-ENYL)PHENOL
LRG - [nb=5] --> .....Y)-3-PHENYLPROPANOIC ACID
C3S - [nb=5] --> .....-EN-3-YL HYDROGEN SULFATE
BM6 - [nb=5] --> .....OXOLAN-2-YL]-BENZOIC ACID
0D1 - [nb=4] --> .....OETHENE-1,1-DIYL)DIPHENOL
KN0 - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
4Q3 - [nb=4] --> .....-fluoro-N-methylbenzamide
471 - [nb=4] --> .....PHENYL}PROPYL)PROPANAMIDE
ACD - [nb=4] --> ARACHIDONIC ACID
668 - [nb=4] --> .....yl}-N,N-dimethylbenzamide
EEZ - [nb=4] --> .....sulfonylphenyl)ethanamide
9HF - [nb=4] --> .....riazole-5-carboxylic acid
7EE - [nb=4] --> .....,4-trien-20-yne-3,17-diol
82O - [nb=4] --> .....pyrrolidine-3-carboxamide
OBH - [nb=4] --> ......1]hept-5-ene-2-sulfonate
244 - [nb=4] --> .....ZOFURAN-7-YL]ACETONITRILE
6Q6 - [nb=4] --> .....ethoxyphenyl)propan-1-one
6OX - [nb=4] --> .....imidazol-4-yl]propan-2-ol
29S - [nb=4] --> Bazedoxifene
AJA - [nb=4] --> .....HROMENE-9-CARBOXYLIC ACID
82R - [nb=4] --> .....ne-6,2'-oxane]-10,16-diol
4P3 - [nb=4] --> .....xy)biphenyl-3-carboxamide
AEJ - [nb=4] --> .....ETRAHYDROISOQUINOLIN-6-OL
JJ3 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
LG2 - [nb=4] --> .....YRIDINE-3-CARBOXYLIC ACID
F15 - [nb=4] --> PENTADECANOIC ACID
AS0 - [nb=4] --> .....-11-YL]BENZALDEHYDE OXIME
7EB - [nb=4] --> ......1]hept-5-ene-2-sulfonate
072 - [nb=4] --> .....PTYL-4-OXO-5-THIAZOLIDINE
98N - [nb=4] --> .....-b]pyridine-3-carboxamide
4M5 - [nb=4] --> .....,10,13,19-pentaenoic acid
G8Y - [nb=4] --> .....][1]benzoxepine-5,11-diol
DAO - [nb=4] --> LAURIC ACID
8SU - [nb=4] --> .....en-1-yl]hept-5-enoic acid
OCR - [nb=4] --> .....5,8,11,13-TETRAENOIC ACID
GW9 - [nb=4] --> .....5-NITRO-N-PHENYLBENZAMIDE
9NP - [nb=4] --> .....nzimidazol-1-yl}acetamide
272 - [nb=4] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
6Q5 - [nb=4] --> Ursolic acid
OR8 - [nb=4] --> .....1H-PYRAZOLE-4-SULFONAMIDE
98H - [nb=4] --> .....henanthrene-3,7(4H)-dione
AYO - [nb=4] --> .....amino]-6-oxohexanoic acid
9P6 - [nb=4] --> .....xan-4-ylmethyl)ethanamide
7EC - [nb=4] --> ......1]hept-5-ene-2-sulfonate
DC8 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
Y1N - [nb=3] --> .....YL]PHENOXY]PROPANOIC ACID
TBY - [nb=3] --> TRIBUTYLSTANNANYL
9R0 - [nb=3] --> .....hiazole-6-carboxylic acid
44B - [nb=3] --> .....)AMINO]PHENYL}PROPAN-2-OL
MLO - [nb=3] --> .....N-1-YL)BIPHENYL-2,2'-DIOL
6F1 - [nb=3] --> .....hyl)benzene-1-sulfonamide
NDR - [nb=3] --> .....17-HYDROXYESTR-4-EN-3-ONE
T9T - [nb=3] --> TRIPHENYLSTANNANYL
RAL - [nb=3] --> RALOXIFENE
BOG - [nb=3] --> SUGAR (B-OCTYLGLUCOSIDE)
9R3 - [nb=3] --> .....hiazole-6-carboxylic acid
S44 - [nb=3] --> .....THYL}BENZYL)BUTANOIC ACID
ET1 - [nb=3] --> .....INDOL-3-YL}PROPANOIC ACID
4D8 - [nb=3] --> .....4-DIENE-4-CARBOXYLIC ACID
SNL - [nb=3] --> SPIRONOLACTONE
MOF - [nb=3] --> MOMETASONE FUROATE
7EH - [nb=3] --> .....azo[4,5-b]pyridin-2-amine
STL - [nb=3] --> RESVERATROL
965 - [nb=3] --> .....ROPOXY)PHENYL]ACETIC ACID
CHC - [nb=3] --> .....HYL-CHENODEOXYCHOLIC ACID
76E - [nb=3] --> .....NZOXAZEPIN-7-YL]BENZAMIDE
FHM - [nb=3] --> .....METHYL)PHENYL]PROPANAMIDE
TTB - [nb=3] --> .....)PROP-1-ENYL]BENZOIC ACID
3JX - [nb=3] --> .....IPHENYL-2-CARBOXYLIC ACID
33Y - [nb=3] --> .....,5-b]indole-5-carboxylate
8YB - [nb=3] --> .....sulfonylphenyl)ethanamide
XDH - [nb=3] --> .....YLBIS(2,6-DICHLOROPHENOL)
JZN - [nb=3] --> .....L]CARBONYL}-D-PROLINAMIDE
JZR - [nb=3] --> .....yl beta-D-glucopyranoside
MYR - [nb=3] --> MYRISTIC ACID
HJ4 - [nb=2] --> .....-one (non-preferred name)
OMM - [nb=2] --> .....INO)-3-FLUOROBENZOIC ACID
31D - [nb=2] --> .....ENZOYL}AMINO)BENZOIC ACID
OB2 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
7G0 - [nb=2] --> .....yloctahydro-1H-inden-1-ol
36M - [nb=2] --> propyl 4-hydroxybenzoate
9XY - [nb=2] --> Endoxifen
6WS - [nb=2] --> .....enyl]-4-chloranyl-benzene
5KA - [nb=2] --> .....dene}methanediyl)diphenol
1GJ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
XD5 - [nb=2] --> .....eptanyl] 4-azanylbenzoate
T3O - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
61X - [nb=2] --> .....TRIFLUOROMETHYL)QUINOLINE
5J0 - [nb=2] --> .....droxyphenyl)methyl]phenol
27J - [nb=2] --> ALPHA-ZEARALANOL
NKS - [nb=2] --> .....LPHENOXY)CARBONYL]GLYCINE
MYI - [nb=2] --> .....1H-INDOL-3-YL)ACETIC ACID
7EQ - [nb=2] --> .....1lambda~4~-thiophen-1-one
77W - [nb=2] --> .....]phenyl}prop-2-enoic acid
D9N - [nb=2] --> .....n-2-yl]oxymethyl]benzoate
LNA - [nb=2] --> .....CTADECA-9,12-DIENOIC ACID
7FQ - [nb=2] --> .....,3,5(10)-triene-3,17-diol
UNT - [nb=2] --> .....IAZOL-2-YL)PROPANOIC ACID
YFD - [nb=2] --> AMORFRUTIN 2
789 - [nb=2] --> .....OXYPHENYL)-1H-INDEN-1-ONE
Z27 - [nb=2] --> .....METHYL)BENZENESULFONAMIDE
27H - [nb=2] --> FERUTININE
XPT - [nb=2] --> .....AMBDA~4~-SULFANYL]PROPANE
EED - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
6WQ - [nb=2] --> .....droxyphenyl)methyl]phenol
7KK - [nb=2] --> .....uorobenzene-1-sulfonamide
9N7 - [nb=2] --> .....acetyl]amino}benzoic acid
Q6Y - [nb=2] --> .....-pyrimidine-5-carboxamide
5K1 - [nb=2] --> .....dene]methanediyl}diphenol
90C - [nb=2] --> .....phenyl]pent-1-enyl]phenol
ETC - [nb=2] --> .....TRAHYDROCHRYSENE-2,8-DIOL
5G7 - [nb=2] --> .....yl)carbonimidoyl]diphenol
F3D - [nb=2] --> .....o]-N,N-dimethylbutanamide
GW6 - [nb=2] --> .....17-YL FURAN-2-CARBOXYLATE
5J2 - [nb=2] --> .....l)methyl]benzene-1,3-diol
PIZ - [nb=2] --> .....-1,2-DIYL DIHEXADECANOATE
9NA - [nb=2] --> .....droxycyclohexyl)acetamide
O40 - [nb=2] --> .....BAMOYL]AMINO}BENZOIC ACID
4OH - [nb=2] --> .....-TRIENE-3,15,16,17-TETROL
5DH - [nb=2] --> .....2-phenylprop-2-enenitrile
7FO - [nb=2] --> ......1]hept-5-ene-2-sulfonate
5OS - [nb=2] --> .....-phenyl)furan-3-yl]phenol
WST - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-9-OL
O90 - [nb=2] --> .....LFANYL]PHENYL}ACETIC ACID
7FL - [nb=2] --> .....ylidenemethylene)diphenol
5EU - [nb=2] --> .....-diyl)bis(3-chlorophenol)
5K2 - [nb=2] --> .....idenemethanediyl)diphenol
8LX - [nb=2] --> .....,3-thiazolidine-2,4-dione
6WN - [nb=2] --> .....enta[a]phenanthren-17-one
7EM - [nb=2] --> .....ene-2,3,5-triyl)triphenol
9LP - [nb=2] --> .....clohexyl hydrogen sulfate
7M1 - [nb=2] --> .....nyl 4,4''-dihydroxy-[1,1'
555 - [nb=2] --> .....L)-1-NAPHTHALDEHYDE OXIME
5KF - [nb=2] --> .....dene]methanediyl}diphenol
5J1 - [nb=2] --> .....-9-ylmethanediyl]diphenol
86Y - [nb=2] --> .....nyl)-2H-1-benzopyran-7-ol
9MP - [nb=2] --> .....nzimidazol-1-yl}acetamide
EEY - [nb=2] --> .....N-(pyridin-4-yl)benzamide
GFV - [nb=2] --> .....droxy Pioglitazone (M-IV)
5DJ - [nb=2] --> .....lethene-1,1-diyl)diphenol
643 - [nb=2] --> .....-INDOLE-3-CARBOXYLIC ACID
5K0 - [nb=2] --> .....dene)methanediyl]diphenol
PIQ - [nb=2] --> .....NYLIMIDAZO[4,5-B]PYRIDINE
7EL - [nb=2] --> .....[1,1'-biphenyl]-3,4'-diol
J2Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
CUE - [nb=2] --> Coumestrol
OFB - [nb=2] --> ......1]hept-5-ene-2-sulfonate
1GS - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
7FJ - [nb=2] --> .....lidene)methylene]diphenol
7E1 - [nb=2] --> .....l]phenyl}hex-5-enoic acid
36J - [nb=2] --> .....zoxacyclotetradecin-1-one
OB9 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
I5W - [nb=2] --> .....-phenyl]prop-2-enoic acid
RJW - [nb=2] --> .....6a-hexahydropentalen-1-ol
9MY - [nb=2] --> .....droxycyclohexyl)acetamide
WY1 - [nb=2] --> .....2-YL}SULFANYL)ACETIC ACID
XBR - [nb=2] --> .....L-2(9H)-YL)PROPANOIC ACID
5G3 - [nb=2] --> .....l)methyl]benzene-1,3-diol
5KD - [nb=2] --> .....dene]methanediyl}diphenol
866 - [nb=2] --> .....1H-PYRAZOLE-4-CARBOXAMIDE
NZA - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
OMK - [nb=2] --> .....2-METHYLPHENYL)ETHANAMIDE
459 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
1GV - [nb=2] --> .....5-DIYLBIS(3-METHYLPHENOL)
9M1 - [nb=2] --> .....,5-b]indole-5-carboxylate
5ES - [nb=2] --> .....}ethene-1,1-diyl)diphenol
7FG - [nb=2] --> .....thyl}phenyl)prop-2-enoate
6WT - [nb=2] --> .....hlorophenyl)ethyl]benzene
88J - [nb=2] --> .....yl)(pyridin-4-yl)methanol
4NA - [nb=2] --> .....HYDROXYPHENYL)-2-NAPHTHOL
961 - [nb=2] --> .....ACETYLAMINO]-BENZOIC ACID
5FY - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
JJA - [nb=2] --> .....YL]AMINO}METHYL)BENZAMIDE
SF1 - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
XX9 - [nb=2] --> .....-(DIMETHYLAMINO)BENZAMIDE
85M - [nb=2] --> .....ydro-2H-1-benzopyran-7-ol
EI1 - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
6WV - [nb=2] --> .....openta[a]phenanthren-3-ol
FSV - [nb=2] --> .....)ETHENYL]BENZENE-1,3-DIOL
EZT - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
HV4 - [nb=2] --> .....ene-1,3-thiazolidin-4-one
470 - [nb=2] --> .....YDROPENTALEN-3A(1H)-AMINE
39K - [nb=2] --> .....-PHENYLMETHANESULFONAMIDE
7EG - [nb=2] --> .....xyimino)methyl][1~1~,2~1~
JYH - [nb=2] --> .....RBONYL]AMINO}BENZOIC ACID
YJD - [nb=2] --> .....YBENZIMIDAZOL-1-YL)PHENOL
5FS - [nb=2] --> .....da~6~-thiophene-1,1-dione
OOK - [nb=2] --> .....-3,5-DIFLUOROBENZOIC ACID
SFI - [nb=2] --> .....]inden-1-yl]ethanoic acid
WV7 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
27G - [nb=2] --> .....BENZENE-1,2-DICARBOXYLATE
7HA - [nb=2] --> .....-(METHOXYCARBONYL)GLYCINE
243 - [nb=2] --> .....CTADECA-9,11-DIENOIC ACID
7M4 - [nb=2] --> .....l]phenyl}hex-5-enoic acid
BXG - [nb=2] --> .....in-4-yl)-5-nitrobenzamide
OBC - [nb=2] --> ......1]hept-5-ene-2-sulfonate
PFA - [nb=2] --> .....ETHYL-PHENYL]-6-AZAURACIL
7G2 - [nb=2] --> .....[1,1'-biphenyl]-4,4'-diol
7KL - [nb=2] --> .....]phenyl}prop-2-enoic acid
9L7 - [nb=2] --> .....N,2-dicyclohexylacetamide
5K8 - [nb=2] --> .....]cyclohexyl}propanedioate
5K4 - [nb=2] --> .....dene]methanediyl}diphenol
G9J - [nb=2] --> .....thyl-2H-1-benzopyran-6-ol
9HO - [nb=2] --> .....TADECA-10,12-DIENOIC ACID
27N - [nb=2] --> .....OETHANE-1,1-DIYL)DIPHENOL
ORB - [nb=2] --> .....YLISOXAZOLE-4-SULFONAMIDE
6WW - [nb=2] --> .....openta[a]phenanthren-3-ol
T73 - [nb=2] --> .....an-2-yl 4-hydroxybenzoate
7EV - [nb=2] --> .....yl]phenoxy}pentanoic acid
OCX - [nb=2] --> .....5,9,11,14-TETRAENOIC ACID
1GR - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
OBT - [nb=2] --> .....]hept-5-ene-2-sulfonamide
EF5 - [nb=2] --> .....3-thiazol-2-yl]ethanamide
5CE - [nb=2] --> .....yloctahydro-1H-inden-1-ol
FEZ - [nb=2] --> .....en-1-yl 4-hydroxybenzoate
C08 - [nb=2] --> .....L-KAPPAN}PENTANOATO)BORON
538 - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
93U - [nb=2] --> .....yridine-3,5-dicarboxylate
LLC - [nb=2] --> .....YLETHOXY)PHENYL]METHANONE
7FR - [nb=2] --> .....stra-1,3,5(10)-trien-3-ol
5C7 - [nb=2] --> .....p-1-ene-1,1-diyl]diphenol
EES - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
5CK - [nb=2] --> .....yloctahydro-1H-inden-1-ol
65W - [nb=2] --> .....yl)phenoxy]propanoic acid
OBM - [nb=2] --> ......1]hept-5-ene-2-sulfonate
1GM - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
9RA - [nb=2] --> .....2-YL)ETHENYL]BENZOIC ACID
3SN - [nb=2] --> .....lobutylbenzenesulfonamide
5BC - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
IOK - [nb=2] --> .....L-1H-INDOL-3-YL)ACETAMIDE
7E3 - [nb=2] --> .....yl]phenoxy}pentanoic acid
5HX - [nb=2] --> .....dene(phenyl)methyl]phenol
7EF - [nb=2] --> .....zol-3-yl]benzene-1,3-diol
K08 - [nb=2] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
1GT - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
ODE - [nb=2] --> .....T-5-ENE-2,3-DICARBOXYLATE
6WR - [nb=2] --> .....exahydro-1~{H}-inden-1-ol
5RT - [nb=2] --> .....thyl]indole-4-sulfonamide
CF7 - [nb=2] --> .....pholine-2,4-dicarboxamide
1NY - [nb=2] --> .....RBONYL]AMINO}BENZOIC ACID
P6L - [nb=2] --> .....PYL (8E)-OCTADEC-8-ENOATE
27K - [nb=2] --> BUTYL 4-HYDROXYBENZOATE
7JY - [nb=2] --> .....yl]phenoxy}heptanoic acid
5K5 - [nb=2] --> .....idenemethanediyl]diphenol
27L - [nb=2] --> .....IMETHYLPENTAN-2-YL)PHENOL
XGH - [nb=2] --> .....-2-methylpropyl)acetamide
MUF - [nb=2] --> .....5-DIENE-3-CARBOXYLIC ACID
3SX - [nb=2] --> .....-phenylmethanesulfonamide
5OX - [nb=2] --> .....,14,17,20-PENTAENOIC ACID
7M7 - [nb=2] --> .....nyl 4,4''-dihydroxy-[1,1'
4F1 - [nb=2] --> .....indazol-3-yl}benzoic acid
7K6 - [nb=2] --> .....yl]phenoxy}heptanoic acid
F22 - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
G91 - [nb=2] --> .....][1]benzoxepine-5,11-diol
E3S - [nb=2] --> .....soquinoline-1-carboxamide
5DG - [nb=2] --> .....p-1-ene-1,1-diyl)diphenol
6QW - [nb=2] --> .....phenyl-methanesulfonamide
5G4 - [nb=2] --> .....o]methyl}benzene-1,3-diol
9LD - [nb=2] --> .....3-carbonyl}amino)benzoate
PEF - [nb=2] --> .....-PHOSPHATIDYLETHANOLAMINE
PLB - [nb=2] --> .....IDIN-2-YLOXY)BENZOIC ACID
041 - [nb=2] --> .....VINYL-1,3-BENZOXAZOL-5-OL
HZ3 - [nb=2] --> .....5-DIENE-2,3-DICARBOXYLATE
4HD - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
5C8 - [nb=2] --> .....p-1-ene-1,1-diyl]diphenol
6QP - [nb=2] --> .....benzoxazin-6-yl]benzamide
SP3 - [nb=2] --> .....METHYL)BENZENESULFONAMIDE
7EN - [nb=2] --> .....1lambda~4~-thiophen-1-one
JYI - [nb=2] --> .....2-YL)ETHENYL]BENZOIC ACID
9L4 - [nb=2] --> .....acetyl}amino)benzoic acid
240 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
5OR - [nb=2] --> .....midazo[1,2-a]pyridin-6-ol
RHN - [nb=2] --> .....HRACENE-2-CARBOXYLIC ACID
ZTW - [nb=2] --> RALOXIFENE CORE
9MD - [nb=2] --> .....[(2S)-oxan-2-yl]acetamide
30X - [nb=2] --> .....LUOROETHYL)-L-ALANINAMIDE
OB3 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
7ER - [nb=2] --> .....da~6~-thiophene-1,1-dione
7G3 - [nb=2] --> .....[1,1'-biphenyl]-4,4'-diol
A48 - [nb=2] --> .....IFLUOROETHYL)AMINO]PHENOL
6EW - [nb=2] --> .....hyl)benzene-1-sulfonamide
5HW - [nb=2] --> .....dene]methanediyl}diphenol
5KE - [nb=2] --> .....dene]methanediyl}diphenol
99N - [nb=2] --> .....en-3-yl] hydrogen sulfate
OKI - [nb=2] --> .....,2-DICYCLOHEXYLETHANAMIDE
7J9 - [nb=2] --> .....-yl]phenoxy}hexanoic acid
CFG - [nb=2] --> .....1,2-oxazole-5-carboxamide
LO2 - [nb=2] --> .....3,3-HEXAFLUOROPROPAN-2-OL
9LY - [nb=2] --> .....nzimidazol-1-yl}acetamide
HC3 - [nb=2] --> 25-HYDROXYCHOLESTEROL
EQO - [nb=2] --> .....2-YL]ETHENYL}BENZOIC ACID
OOF - [nb=2] --> .....ACETYL}AMINO)BENZOIC ACID
9WD - [nb=2] --> .....iperidin-1-yl}ethan-1-one
0L8 - [nb=2] --> .....DROXYMETHYL)BIPHENYL-4-OL
9N1 - [nb=2] --> .....nzimidazol-1-yl]acetamide
9LS - [nb=2] --> .....(2-fluorophenyl)acetamide
338 - [nb=2] --> .....-YL)-1,3-BENZOOXAZOL-6-OL
5G5 - [nb=2] --> .....yl)carbonimidoyl]diphenol
NRO - [nb=2] --> .....L)FURAN-2-YL]BENZOIC ACID
27M - [nb=2] --> .....DIHYDROXYPHENYL)METHANONE
CFJ - [nb=2] --> .....l)-3-methylpentanediamide
86V - [nb=2] --> .....nyl)-2H-1-benzopyran-7-ol
AXY - [nb=2] --> .....yl-4-yloxy)propanoic acid
W14 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-7-OL
T98 - [nb=2] --> .....1H-PYRROLE-2-CARBONITRILE
Q97 - [nb=2] --> .....t-1-ene-1,2-diyl]diphenol
9A0 - [nb=2] --> .....ethyl-N-phenylpropanamide
7FZ - [nb=2] --> .....2,3-dihydro-1H-inden-1-ol
RPG - [nb=2] --> .....sta-10,13-dien-1-oic acid
GOL - [nb=2] --> GLYCEROL
W23 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
782 - [nb=2] --> .....}phenyl)prop-2-enoic acid
SRO - [nb=2] --> SEROTONIN
7ED - [nb=2] --> .....-hydroxyphenyl)pentanoate
OB8 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
4KM - [nb=2] --> .....(trifluoromethyl)benzoate
WOW - [nb=2] --> .....N-3-YL]AMINO}BENZONITRILE
OLF - [nb=2] --> .....INO)-3-METHYLBENZOIC ACID
9NJ - [nb=2] --> .....ohexane-1-carboxylic acid
HIG - [nb=2] --> .....3H-IMIDAZO[4,5-B]PYRIDINE
L8A - [nb=2] --> .....iperazin-1-yl)ethan-1-one
9N4 - [nb=2] --> .....-dimethylphenyl)acetamide
797 - [nb=2] --> .....L)-BENZO[D]ISOOXAZOL-6-OL
9LA - [nb=2] --> .....ohexylethoxy}benzoic acid
9KV - [nb=2] --> .....nzimidazol-1-yl]acetamide
5C4 - [nb=2] --> .....p-1-ene-1,1-diyl}diphenol
5G2 - [nb=2] --> .....da~6~-thiophene-1,1-dione
5ET - [nb=2] --> .....5-diylbis(3-chlorophenol)
15Q - [nb=2] --> .....METHYL]BIPHENYL-4,4'-DIOL
GKK - [nb=2] --> .....BENZYL]AMINO}BENZONITRILE
8A7 - [nb=2] --> .....,3-thiazolidine-2,4-dione
YFE - [nb=2] --> AMORFRUTIN 1
EE8 - [nb=2] --> .....-ethoxy-phenyl)ethanamide
5KB - [nb=2] --> .....dene]methanediyl}diphenol
ESL - [nb=2] --> ESTRIOL
KN2 - [nb=2] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
9ND - [nb=2] --> .....lohexyl-N-phenylacetamide
AZ2 - [nb=2] --> .....OXY)PHENYL]PROPANOIC ACID
ESE - [nb=2] --> .....YLOCTAHYDRO-1H-INDEN-1-OL
5P1 - [nb=2] --> .....midazo[1,2-a]pyridin-6-ol
7FD - [nb=2] --> .....thyl]phenyl}prop-2-enoate
CTM - [nb=2] --> .....L)-2-ETHOXYPROPANOIC ACID
5C6 - [nb=2] --> .....t-1-ene-1,1-diyl}diphenol
NOG - [nb=2] --> .....ETA-HYDROXYGON-4-EN-3-ONE
0KT - [nb=2] --> .....PHENYL)BENZENESULFONAMIDE
85Z - [nb=2] --> .....]PHENYL]PROP-2-ENOIC ACID
CO1 - [nb=2] --> .....OPENTA[A]PHENANTHREN-3-OL
QSO - [nb=2] --> .....yphenyl)-4H-chromen-4-one
SF2 - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
27E - [nb=2] --> CHLORDECONE
5HE - [nb=2] --> .....,11,14,17-PENTAENOIC ACID
9MS - [nb=2] --> .....N,2-dicyclohexylacetamide
7FS - [nb=2] --> .....stra-1(10),2,4-trien-3-ol
5FT - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
MMB - [nb=2] --> .....ROPOXYIMINO)BUTANOIC ACID
DGX - [nb=2] --> DIGOXIN
NBH - [nb=2] --> .....SULFONYL)PHENYL]ACETAMIDE
9MM - [nb=2] --> .....oxy}-3-fluorobenzoic acid
RO7 - [nb=2] --> .....OPHEN-7-YL}PROPANOIC ACID
NIW - [nb=2] --> .....yridine-3,5-dicarboxylate
9LJ - [nb=2] --> .....yl)-2-cyclohexylacetamide
3AS - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
OB1 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
DRH - [nb=2] --> .....XY)-2-METHYLBUTANOIC ACID
LUF - [nb=2] --> .....-5-HYDROXYFURAN-2(5H)-ONE
047 - [nb=2] --> .....L-3-YL]METHYL}METHANAMINE
C6V - [nb=2] --> .....)phenyl]prop-2-enoic acid
6WU - [nb=2] --> .....},4,7-hexahydroinden-1-ol
3K2 - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
8A4 - [nb=2] --> .....1H-imidazol-5-yl)methanol
66B - [nb=2] --> .....,15,18,21-PENTAENOIC ACID
LX2 - [nb=2] --> .....1H-INDOL-1-YL]ACETIC ACID
E3V - [nb=2] --> .....yl]cyclobutyl}acetic acid
7FP - [nb=2] --> ......1]hept-5-ene-2-sulfonate
5K7 - [nb=2] --> .....lidene]cyclohexyl}acetate
5G6 - [nb=2] --> .....nylcarbonimidoyl)diphenol
3QQ - [nb=2] --> .....no}pyridine-3-sulfonamide
K09 - [nb=2] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
LLB - [nb=2] --> .....L)ETHOXY]PHENYL}METHANONE
697 - [nb=2] --> .....BENZOFURAN-7-CARBONITRILE
4Q9 - [nb=2] --> ......1]hept-5-ene-2-sulfonate
7G1 - [nb=2] --> .....spirobi[indene]-1',5-diol
4Q7 - [nb=2] --> ......1]hept-5-ene-2-sulfonate
5HZ - [nb=2] --> .....idenemethanediyl]diphenol
7ES - [nb=2] --> .....-diyl)bis(3-fluorophenol)
3EA - [nb=2] --> .....]INDOL-1-YL}ETHANOIC ACID
4LQ - [nb=2] --> .....phthalen-1-yl-propanamide
5CQ - [nb=2] --> .....yloctahydro-1H-inden-1-ol
21P - [nb=2] --> .....IOXOLAN-2-YL]BENZOIC ACID
F7M - [nb=2] --> .....yl}pyridine-2-carboxamide
6WP - [nb=2] --> ......1]hept-5-ene-2-sulfonate
DRQ - [nb=2] --> .....,3,5(10)-TRIENE-3,17-DIOL
1GU - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
IVM - [nb=2] --> .....-L-arabino-hexopyranoside
196 - [nb=2] --> .....-HYDROXY-1-NAPHTHONITRILE
SU4 - [nb=2] --> .....PROPYL]BENZENESULFONAMIDE
5KG - [nb=2] --> .....dene]methanediyl}diphenol
ZER - [nb=2] --> .....tetradecine-1,7(8H)-dione
6WL - [nb=2] --> .....zol-3-yl]benzene-1,3-diol
5FV - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
5CJ - [nb=2] --> .....l)octahydro-1H-inden-1-ol
689 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
1HP - [nb=2] --> .....4,5-B]PYRIDIN-6-YL)PHENOL
5C9 - [nb=2] --> .....t-1-ene-1,1-diyl)diphenol
5JX - [nb=2] --> .....dene]methanediyl}diphenol
HFT - [nb=2] --> HYDROXYFLUTAMIDE
5LO - [nb=1] --> .....-trien-11-yl]benzoic acid
GQD - [nb=1] --> .....]PHENYL]PROP-2-ENOIC ACID
OBB - [nb=1] --> ......1]hept-5-ene-2-sulfonate
564 - [nb=1] --> .....HTALENE-2-CARBOXYLIC ACID
RTE - [nb=1] --> .....2-yl]methoxy}benzoic acid
208 - [nb=1] --> .....L)-2-ETHOXYPROPANOIC ACID
VYI - [nb=1] --> .....-1,4-BENZOXAZEPIN-6-AMINE
034 - [nb=1] --> .....-INDOLE-2-CARBOXYLIC ACID
F7J - [nb=1] --> .....l-1H-indol-5-yl}benzamide
B9W - [nb=1] --> .....yl-butan-2-yl]propanamide
BMS - [nb=1] --> .....ONYL)-AMINO]-BENZOIC ACID
ZAA - [nb=1] --> .....-TRIAZOL-4-YL)ACETIC ACID
FEX - [nb=1] --> .....HYL}AMINO]PHENYL}ACRYLATE
17L - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
B66 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
T35 - [nb=1] --> .....]-2-methyl-propanoic acid
PTI - [nb=1] --> .....TRAHYDRO-ISOQUINOLIN-6-OL
R8C - [nb=1] --> .....ENYLPROPAN-2-YL]ACETAMIDE
1O8 - [nb=1] --> .....LOCTA-2,4,6-TRIENOIC ACID
5TN - [nb=1] --> .....-2-YL)PHENYL]ACRYLIC ACID
RO0 - [nb=1] --> .....-1-YL]METHYL}ISOQUINOLINE
7VX - [nb=1] --> .....picene-4a-carboxylic acid
SJZ - [nb=1] --> .....-phenyl]prop-2-enoic acid
9NG - [nb=1] --> .....ylthiophene-2-sulfonamide
KRC - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
T53 - [nb=1] --> .....)phenyl]-3-nitrobenzamide
P0E - [nb=1] --> PHOSPHATIDYL ETHANOL
EYN - [nb=1] --> .....l]-~{N}-methyl-ethanamide
21L - [nb=1] --> .....APHTHALEN-2-YL}PROPANOATE
0KS - [nb=1] --> .....-METHYLBENZENESULFONAMIDE
3TN - [nb=1] --> .....-2-YL)PHENYL]ACRYLIC ACID
927 - [nb=1] --> .....yl}amino]phenyl}benzamide
IH5 - [nb=1] --> .....HENOXY]PHENYL}ACETIC ACID
RRG - [nb=1] --> .....L-4-YL]OXY}PROPANOIC ACID
M7R - [nb=1] --> .....HYL}PHENYL)PROPANOIC ACID
7VA - [nb=1] --> .....,3-thiazolidine-2,4-dione
YTZ - [nb=1] --> .....L-2-YL)BENZENESULFONAMIDE
B5R - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
L92 - [nb=1] --> .....YRROL-1-YL)PROPANOIC ACID
635 - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
TLS - [nb=1] --> .....IPHENYL-2-CARBOXYLIC ACID
77U - [nb=1] --> .....-yl]-3-methylbenzonitrile
4Y7 - [nb=1] --> .....oro-2-hydroxybenzoic acid
WFF - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
LGB - [nb=1] --> .....INO}-3-METHYLBENZONITRILE
L79 - [nb=1] --> .....AN-2-YL]-2-PROPENOIC ACID
9LM - [nb=1] --> .....-c]pyridine-1-carboxamide
JJB - [nb=1] --> .....yl]amino}methyl)benzamide
EK8 - [nb=1] --> .....POXYPHENYL]PROPANOIC ACID
K10 - [nb=1] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
0X0 - [nb=1] --> .....hylpentan-3-yl)ethanamide
6Q0 - [nb=1] --> .....methyl]benzenesulfonamide
60R - [nb=1] --> .....~{H}-1,4-benzoxazin-3-one
AS4 - [nb=1] --> ALDOSTERONE
82X - [nb=1] --> .....HIOPHEN-2-YL)BENZOIC ACID
VQI - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
B05 - [nb=1] --> .....)phenyl]-3-nitrobenzamide
5CC - [nb=1] --> .....t-1-ene-1,1-diyl}diphenol
DKA - [nb=1] --> DECANOIC ACID
OB5 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
HFN - [nb=1] --> .....-1,4-benzoxazin-3(4H)-one
064 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
5JY - [nb=1] --> .....dene)methanediyl]diphenol
241 - [nb=1] --> .....YL}PHENOXY)PROPANOIC ACID
CTI - [nb=1] --> .....,6-c]phenanthridin-12-ium
KK4 - [nb=1] --> .....1,2,4-oxadiazol-5(4H)-one
J0W - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
OB4 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
CV7 - [nb=1] --> .....ESISOBUYTYRYL CICLESONIDE
G58 - [nb=1] --> .....H-IMIDAZOLE-4-SULFONAMIDE
GRR - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
FBR - [nb=1] --> .....TRAHYDRO-3H-FLUOREN-3-ONE
8N6 - [nb=1] --> .....,3-thiazolidine-2,4-dione
ORC - [nb=1] --> .....YLISOXAZOLE-4-SULFONAMIDE
DRD - [nb=1] --> .....Y]-2-METHYLPROPANOIC ACID
1BA - [nb=1] --> .....OPYLBENZYL)BENZOHYDRAZIDE
369 - [nb=1] --> .....)-7-METHYLNAPHTHALEN-2-OL
0W3 - [nb=1] --> .....-DIOXODOCOS-16-ENOIC ACID
MSZ - [nb=1] --> .....HYL)PHENOXY]ETHANOIC ACID
MON - [nb=1] --> .....N-2-YL]AMINO}ETHYL)PHENOL
9LG - [nb=1] --> .....-c]pyridine-2-carboxamide
QZQ - [nb=1] --> Betulinic Acid
184 - [nb=1] --> .....HTALENE-2-CARBOXYLIC ACID
EQN - [nb=1] --> .....RBONYL]AMINO}BENZOIC ACID
ET0 - [nb=1] --> .....INDOL-3-YL)PROPANOIC ACID
37G - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
FNJ - [nb=1] --> .....lbutane-1,2-diyl]diphenol
7O0 - [nb=1] --> .....]phenyl]prop-2-enoic acid
RLJ - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
29V - [nb=1] --> .....ENE]OCTA-3,6-DIENOIC ACID
YRG - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
CID - [nb=1] --> .....(3,4-DICHLOROBENZYL)OXIME
IU5 - [nb=1] --> ISO-URSODEOXYCHOLIC ACID
2VR - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
89P - [nb=1] --> .....INOLINE-2-CARBOXYLIC ACID
2VP - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
9MA - [nb=1] --> .....azo[1,2-a]pyridin-3-amine
OB7 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
KNA - [nb=1] --> NONANOIC ACID
6BH - [nb=1] --> .....)phenyl]-3-nitrobenzamide
ENM - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
NN7 - [nb=1] --> .....METHYL-BENZENESULFONAMIDE
T51 - [nb=1] --> .....)phenyl]-3-nitrobenzamide
XDI - [nb=1] --> .....IYLBIS(2,6-DIBROMOPHENOL)
59G - [nb=1] --> .....IOPHENE-3-CARBOXYLIC ACID
13M - [nb=1] --> .....THYL}BENZYL)BUTANOIC ACID
E4D - [nb=1] --> .....ENZO[B][1,4]OXATHIIN-6-OL
A2K - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
DKD - [nb=1] --> .....)-3-PHENYL-PROPANOIC ACID
2W0 - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
92A - [nb=1] --> .....2-yl]-4-methylpentanamide
BWE - [nb=1] --> .....sulfonylphenyl)ethanamide
AIJ - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
CM4 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
XD4 - [nb=1] --> .....-azanyl-3-methyl-benzoate
BKY - [nb=1] --> .....enoxy}methyl)benzoic acid
G7J - [nb=1] --> .....,2-dihydro-6H-indol-6-one
652 - [nb=1] --> .....IMIDAZOL-4-YL}PROPAN-2-OL
DAY - [nb=1] --> .....L-1-YL]-2-HYDROXYETHANONE
PLM - [nb=1] --> PALMITIC ACID
RTF - [nb=1] --> .....2-yl]methoxy]benzoic acid
LD1 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
7ET - [nb=1] --> ......1]hept-5-ene-2-sulfonate
2VZ - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
4CU - [nb=1] --> .....)phenyl]prop-2-enoic acid
0CZ - [nb=1] --> .....PROPANE-2,2-DIYL)DIPHENOL
2OH - [nb=1] --> .....-PROPANE-2,2-DIYLDIPHENOL
156 - [nb=1] --> .....L)-PROPENYL]-BENZOIC ACID
D30 - [nb=1] --> .....ALEN-1-YL)OXY]ACETIC ACID
8Y5 - [nb=1] --> .....sulfonylphenyl)ethanamide
6Q7 - [nb=1] --> .....pyrazol-3-yl}benzoic acid
ARL - [nb=1] --> .....LOCTA-2,4,6-TRIENOIC ACID
9M7 - [nb=1] --> .....1,2-oxazole-4-carboxamide
STE - [nb=1] --> STEARIC ACID
7MV - [nb=1] --> .....]-1H-indole-5-carboxamide
40U - [nb=1] --> .....L}-2-CYCLOPROPYLACETAMIDE
HXA - [nb=1] --> .....0,13,16,19-HEXAENOIC ACID
SP0 - [nb=1] --> .....L-5-YL]BENZENESULFONAMIDE
3T2 - [nb=1] --> .....]OCTA-2,4,6-TRIENOIC ACID
43V - [nb=1] --> .....sulfonyl)phenyl]acetamide
AIH - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
9GS - [nb=1] --> .....dine]-1'(2'H)-carboxamide
B67 - [nb=1] --> .....FLUOROPHENOXY)PROPANAMIDE
OKH - [nb=1] --> .....IDAZOLE-6-CARBOXYLIC ACID
EKS - [nb=1] --> .....y}-2-methylpropanoic acid
056 - [nb=1] --> .....LFANYLMETHYL]BENZOIC ACID
XCX - [nb=1] --> .....Y)-2-METHYLPROPANOIC ACID
3RB - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
C01 - [nb=1] --> .....ISOXAZOL-6-YL)OXY]ACETATE
5FB - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
T65 - [nb=1] --> .....idene)amino]ethanoic acid
2PQ - [nb=1] --> .....Y]-2-METHYLPROPANOIC ACID
71W - [nb=1] --> .....6a-hexahydropentalen-1-ol
CEK - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
J35 - [nb=1] --> .....HYL)BENZYL]PENTANOIC ACID
O62 - [nb=1] --> .....THALENE-1-CARBOXYLIC ACID
BGV - [nb=1] --> .....[6,5-B]FURAN-4-YL ACETATE
Z12 - [nb=1] --> .....PHENYL]BENZENESULFONAMIDE
L4G - [nb=1] --> .....Y)PHENOXY]NAPHTHALEN-2-OL
DRY - [nb=1] --> .....NDOL-5-YL)OXY]ACETIC ACID
29M - [nb=1] --> .....L-7-YL]METHANESULFONAMIDE
4XW - [nb=1] --> .....14-decahydroretinoic acid
MEI - [nb=1] --> .....YLDODECA-2,4-DIENOIC ACID
8NH - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
43M - [nb=1] --> 4-CHLORO-3-METHYLPHENOL
9O1 - [nb=1] --> .....1,2-oxazole-4-carboxamide
4Y6 - [nb=1] --> .....x-3-ene-1-carboxylic acid
PK0 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
97A - [nb=1] --> .....fluoromethyl)benzonitrile
6OC - [nb=1] --> .....CTADECA-9,12-DIENOIC ACID
9M4 - [nb=1] --> .....ino)-2-oxoethyl]benzamide
P26 - [nb=1] --> .....IOXOLAN-2-YL]BENZOIC ACID
LG7 - [nb=1] --> .....(3H)-YL]-1-NAPHTHONITRILE
77T - [nb=1] --> .....-yl]-3-methylbenzonitrile
754 - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
9LV - [nb=1] --> .....H)-yl}methyl)benzoic acid
254 - [nb=1] --> .....HTALENE-2-CARBOXYLIC ACID
93R - [nb=1] --> .....yridine-3,5-dicarboxylate
RB1 - [nb=1] --> .....IMIDIN-3-YL)METHYL]PHENOL
J3Z - [nb=1] --> .....RA-1,3,5(10)-TRIEN-17-ONE
RRH - [nb=1] --> .....L-4-YL]OXY}PROPANOIC ACID
IL2 - [nb=1] --> .....H)-YLIDENE]PENTANOIC ACID
LSJ - [nb=1] --> .....PHENYL}METHANESULFONAMIDE
24L - [nb=1] --> .....THALEN-2-YL}BUTANOIC ACID
FJG - [nb=1] --> .....obutane-1-carboxylic acid
M0T - [nb=1] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
4R8 - [nb=1] --> .....,13,16,19-PENTAENOIC ACID
NSI - [nb=1] --> .....]-1H-INDOLE-2-CARBOXAMIDE
394 - [nb=1] --> .....ACETYLAMINO]-BENZOIC ACID
M7S - [nb=1] --> .....HYL}PHENYL)PROPANOIC ACID
67S - [nb=1] --> .....l)pyrimidin-5-yl}methanol
DIF - [nb=1] --> .....)AMINO]BENZENEACETIC ACID
397 - [nb=1] --> .....XY-PHENYL)BENZOFURAN-5-OL
6QE - [nb=1] --> .....yclopropane-1-sulfonamide
FCM - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
4KQ - [nb=1] --> .....enyl]phenyl]ethanoic acid
B1O - [nb=1] --> .....2-yl]methoxy]benzoic acid
PIK - [nb=1] --> .....-1,2-DIYL DIHEXADECANOATE
GW4 - [nb=1] --> .....Y]PHENYL}PROPYL]ACETAMIDE
B9T - [nb=1] --> .....bis(fluoranyl)propanamide
G24 - [nb=1] --> .....METHYLPHENOXY]ACETIC ACID
9NM - [nb=1] --> .....uorophenyl)prop-2-enamide
8XO - [nb=1] --> .....idene)amino]ethanoic acid
14R - [nb=1] --> .....IDAZO[4,5-C]PYRIDIN-4-ONE
AIU - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
8Y0 - [nb=1] --> .....ec-3-en-1-ylidene]glycine
98E - [nb=1] --> .....lpyrimidine-5-carboxamide
1GQ - [nb=1] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
LD2 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
E9T - [nb=1] --> .....thalene-2-carboxylic acid
AOE - [nb=1] --> .....-YL]-N-METHYLUNDECANAMIDE
FT7 - [nb=1] --> .....]-1H-indole-5-carboxamide
708 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
458 - [nb=1] --> ......3.1]NON-7-EN-2-YL]PHENOL
4CX - [nb=1] --> .....sulfonyl)phenyl]acetamide
GLC - [nb=1] --> SUGAR (ALPHA-D-GLUCOSE)
E3O - [nb=1] --> .....(10)-TRIENE-3,16,17-TRIOL
JAD - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
EK1 - [nb=1] --> .....HYL)PHENYL]PROPANOIC ACID
JZS - [nb=1] --> .....1H-INDAZOL-1-YL)BENZAMIDE
HEM - [nb=1] --> .....ORPHYRIN IX CONTAINING FE
HC2 - [nb=1] --> 20-HYDROXYCHOLESTEROL
BJB - [nb=1] --> .....-indol-2-yl]butanoic acid
8W5 - [nb=1] --> .....}]icosa-14,17-dien-16-one
HC9 - [nb=1] --> .....)-CHOLEST-5-ENE-3,22-DIOL
CA4 - [nb=1] --> CYPROTERONE ACETATE
6OB - [nb=1] --> .....CTADECA-8,12-DIENOIC ACID
RLL - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
COH - [nb=1] --> .....ORPHYRIN IX CONTAINING CO
79U - [nb=1] --> .....indazol-1-yl]benzoic acid
HID - [nb=1] --> .....1H-INDOL-3-YL)ACETIC ACID
4CZ - [nb=1] --> .....,3-thiazol-2-yl}acetamide
P88 - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
OEF - [nb=1] --> .....OPYL-PHENOXY)BENZOIC ACID
JN3 - [nb=1] --> CHENODEOXYCHOLIC ACID
93O - [nb=1] --> .....yridine-3,5-dicarboxylate
C0R - [nb=1] --> CORTICOSTERONE
H8W - [nb=1] --> .....-yl]phenyl]propanoic acid
5IM - [nb=1] --> .....INYL)-1,3-THIAZOL-4-AMINE
T44 - [nb=1] --> .....,5'-TETRAIODO-L-THYRONINE
3B6 - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
7BE - [nb=1] --> .....omene]-6'-carboxylic acid
LU2 - [nb=1] --> .....IHYDROXY-4H-CHROMEN-4-ONE
AIT - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
Q35 - [nb=1] --> .....]-2-methyl-propanoic acid
4Y5 - [nb=1] --> .....-yl}-3-fluorobenzoic acid
YFB - [nb=1] --> AMORFRUTIN B
921 - [nb=1] --> .....idin-4-yl)cyclohexyl]urea
9MV - [nb=1] --> .....H)-yl}methyl)benzoic acid
LX8 - [nb=1] --> .....-2-YL]PROPAN-2-YL ACETATE
WFG - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
KE9 - [nb=1] --> .....-1-YL)PHENYL)ACRYLIC ACID
87J - [nb=1] --> .....hyl)pyridin-3-yl]methanol
B0X - [nb=1] --> .....2-yl]methoxy]benzoic acid
LGD - [nb=1] --> .....METHYL)QUINOLIN-2(1H)-ONE
3SW - [nb=1] --> .....LOCTA-2,4,6-TRIENOIC ACID
7QN - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
R4M - [nb=1] --> .....ENE]OCTA-2,6-DIENOIC ACID
ZXG - [nb=1] --> .....L]PHENYL HYDROGEN SULFATE
CLR - [nb=1] --> CHOLESTEROL
QHG - [nb=1] --> .....]PHENYL]PROP-2-ENOIC ACID
CM3 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
WLM - [nb=1] --> .....YL]PHENYL]ETHYL]BENZAMIDE
7EO - [nb=1] --> .....1lambda~4~-thiophen-1-one
B68 - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
17H - [nb=1] --> .....PREGNA-4,9,11-TRIEN-3-ONE
EY8 - [nb=1] --> .....n-3-yl]methanesulfonamide
ZZH - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
C3D - [nb=1] --> .....TETRAHYDRONAPHTHALEN-2-OL
ZK5 - [nb=1] --> 9ALPHA-FLUOROCORTISOL
OB6 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
PK1 - [nb=1] --> .....-THIOXOIMIDAZOLIDIN-4-ONE
8Y8 - [nb=1] --> .....sulfonylphenyl)ethanamide
EDO - [nb=1] --> 1,2-ETHANEDIOL
2S0 - [nb=1] --> .....HENANTHREN-17-YL] ACETATE
3SV - [nb=1] --> .....3,7-DIMETHYLOCTANOIC ACID
KB0 - [nb=1] --> .....yl-3-phenyl-1H-inden-5-ol
5VN - [nb=1] --> Caulophyllogenin
EHA - [nb=1] --> .....1H-INDOL-1-YL)ACETIC ACID
P3A - [nb=1] --> .....LGLYCEROL-PHOSPHOGLYCEROL
B9Q - [nb=1] --> .....l]cyclopropanecarboxamide
51Y - [nb=1] --> .....ino}-3-methylbenzonitrile
8Y2 - [nb=1] --> .....)thiophen-2-yl]ethanamide
DRJ - [nb=1] --> .....XY)-2-METHYLBUTANOIC ACID
6WM - [nb=1] --> .....[a]phenanthrene-3,17-diol
4TU - [nb=1] --> .....HYDROINDOLE-1-CARBOXAMIDE
CHD - [nb=1] --> CHOLIC ACID
4P1 - [nb=1] --> .....n-6-yl]-N-methylbenzamide
PLC - [nb=1] --> .....ECYL PHOSPHATIDYL CHOLINE
8W8 - [nb=1] --> .....yl)propan-2-yl]ethanamide
9L1 - [nb=1] --> .....ene-1,3-dicarboxylic acid
BHM - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
4TN - [nb=1] --> .....YDROXYPHENYL]ACRYLIC ACID
D5H - [nb=1] --> .....pentene-1-carboxylic acid
EEU - [nb=1] --> .....RIDINIUM TETRAACETIC ACID
A7W - [nb=1] --> 8-AMINO-3-QUINOLINOL
9FG - [nb=1] --> .....1H-pyrrole-2-carbonitrile
735 - [nb=1] --> .....YL}PHENOXY)PROPANOIC ACID
2QO - [nb=1] --> .....YL-3-YL]PROP-2-ENOIC ACID
2E3 - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
IOG - [nb=1] --> .....)-1H-INDOL-3-YL]ACETAMIDE
088 - [nb=1] --> .....-1-YL)METHYL]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_NR1A2_THRb
16
100%
0.29
PF00105
C1_S1
16 -
(0)
10
6
/
10
/ -
7
2
H_NR1B1_RARa
8
100%
0.30
PF00105
C1_S1
9 -
(0)
18
5
/
1
/
2
6
3
H_NR1B2_RARb
14
100%
0.32
PF00105
C1_S1
14 -
(0)
19
9
/
5
/ -
5
4
H_NR1B3_RARg
10
100%
0.45
PF00105
C1_S1
10 -
(0)
16
8
/
2
/ -
9
5
H_NR1C1_PPARa
23
100%
0.48
PF00105
C1_S1
24 -
(0)
20
12
/
8
/
3
14
6
H_NR1C2_PPARb
56
100%
0.49
PF00105
C1_S1
131 -
(0)
10
- / - /
36
4
7
H_NR1C3_PPARg
231
100%
0.44
PF00105
C1_S1
273 -
(0)
20
75
/
80
/
73
143
8
H_NR1D2_REVb
2
99%
0.23
-
C2_S1
2 -
(0)
2
2
/ - / -
2
9
H_NR1F1_RORa
4
100%
0.36
PF00105
C1_S1
6 -
(0)
19
2
/
2
/ -
3
10
H_NR1F2_RORb
3
98%
0.44
PF00105
C1_S1
3 -
(0)
18
- /
3
/ -
3
11
H_NR1F3_RORg
155
100%
0.29
PF00105
C1_S1
178 -
(0)
20
82
/
59
/
14
74
12
H_NR1H2_LXRb
26
100%
0.45
PF00105
C1_S1
33 -
(0)
20
16
/
5
/
3
12
13
H_NR1H3_LXRa
15
100%
0.37
PF00105
C1_S1
15 -
(0)
20
11
/
4
/ -
9
14
H_NR1H4_FXR
122
100%
0.33
PF00105
C1_S1
125 -
(0)
20
101
/
12
/
9
74
15
H_NR1I2_PXR
3
100%
0.38
PF00105
C1_S1
3 -
(0)
3
- /
2
/ -
2
16
H_NR1I3_CAR
1
98%
0.41
PF00105
C1_S1
1 -
(0)
2
1
/ - / -
1
17
H_NR2A1_HNF4a
6
100%
0.28
PF00105
C1_S1
6 -
(0)
5
- /
2
/
4
2
18
H_NR2A2_HNF4g
1
100%
0.24
PF00105
C1_S1
1 -
(0)
4
- /
1
/ -
1
19
H_NR2B1_RXRa
84
100%
0.38
PF00105
C1_S1
88 -
(0)
20
23
/
46
/
11
43
20
H_NR2B2_RXRb
5
100%
0.30
PF00105
C1_S1
5 -
(0)
14
4
/ - /
1
2
21
H_NR3A1_ERa
478
100%
0.34
PF00105
C1_S1
514 -
(0)
20
126
/
312
/
40
220
22
H_NR3A2_ERb
65
100%
0.28
PF00105
C1_S1
72 -
(0)
20
3
/
52
/
10
29
23
H_NR3B1_ERRa
3
100%
0.28
PF00105
C1_S1
3 -
(0)
13
2
/
1
/ -
2
24
H_NR3B3_ERRg
20
100%
0.32
PF00105
C1_S1
21 -
(0)
13
3
/
14
/
2
8
25
H_NR3C1_GCR
43
99%
0.20
PF00105
C1_S1
75 -
(0)
20
21
/
14
/
9
19
26
H_NR3C2_MCR
29
99%
0.16
PF00105
C1_S1
34 -
(0)
20
5
/
24
/
1
16
27
H_NR3C3_PRGR
33
100%
0.23
PF00105
C1_S1
34 -
(0)
20
8
/
25
/ -
16
28
H_NR3C4_ANDR
83
100%
0.21
-
C1_S1
94 -
(0)
20
6
/
68
/
9
35
29
H_NR4A1_NGFIB
24
100%
0.28
PF00105
C1_S1
24 -
(0)
2
- / - /
2
1
30
H_NR4A2_NURR1
9
100%
0.28
PF00105
C1_S1
9 -
(0)
6
- / - /
7
3
31
H_NR5A1_STF1
5
99%
0.32
PF00105
C1_S1
5 -
(0)
15
5
/ - / -
4
32
H_NR5A2_LRH1
18
100%
0.29
PF00105
C1_S1
24 -
(0)
15
13
/
5
/ -
8
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