Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
SLC (Dec 2015)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
100NTCP7_HUMAN1 45% 0.355 PF00005 11 - (0)? - / - / - 0
101S41A1_HUMAN2 40% 0.324 PF03448 3 - (0)? - / - / - 0
102S22A9_HUMAN7 43% 0.319 PF00083 12 - (0)? - / - / - 0
103S52A2_HUMAN0 36% 0.265 PF10584 0 - (0)? - / - / - 0
104MFSD5_HUMAN11 31% 0.273 PF07690 2 - (0)? - / - / - 0
105PM34_HUMAN7 36% 0.285 PF00153 21 - (0)? - / - / - 0
106S20A2_HUMAN0 37% 0.110 PF02055 6 - (0)? - / - / - 0
107SO1A2_HUMAN9 16% 0.070 PF07690 2 - (0)? - / - / - 0
108SO1B7_HUMAN7 17% 0.213 PF07690 2 - (0)? - / - / - 0
109S19A2_HUMAN10 25% 0.258 PF07690 4 - (0)? - / - / - 0
110SO4A1_HUMAN8 16% 0.061 PF07690 2 - (0)? - / - / - 0
111S19A1_HUMAN9 25% 0.217 PF07690 2 - (0)? - / - / - 0
112NPT3_HUMAN9 36% 0.211 PF07690 4 - (0)? - / - / - 0
113COPT2_HUMAN0 57% -0.025 PF02274 5 - (0)? - / - / - 0
114S6A19_HUMAN19 50% 0.332 PF13520 64 - (0)? - / - / - 0
115S13A3_HUMAN1 36% 0.188 PF02774 2 - (0)? - / - / - 0
116MOT5_HUMAN11 29% 0.288 PF07690 6 - (0)? - / - / - 0
117S35A2_HUMAN0 34% 0.064 PF03742 4 - (0)? - / - / - 0
118S22A4_HUMAN3 43% 0.205 PF07690 11 - (0)? - / - / - 0
119S4A5_HUMAN13 36% 0.414 PF00955 6 - (0)? - / - / - 0
120YLAT1_HUMAN5 25% 0.327 PF13520 5 - (0)? - / - / - 0
121S22AI_HUMAN11 27% 0.292 PF07690 3 - (0)? - / - / - 0
122TSCOT_HUMAN10 29% 0.085 PF07690 3 - (0)? - / - / - 0
123SCMC3_HUMAN11 50% 0.633 PF13499 7 - (0)? - / - / - 0
124S47A2_HUMAN5 26% 0.104 PF00556 17 - (0)? - / - / - 0
125S28A1_HUMAN10 43% 0.389 PF01568 12 - (0)? - / - / - 0
126S39A8_HUMAN0 34% 0.188 PF13499 4 - (0)? - / - / - 0
127S38AB_HUMAN5 19% 0.206 PF13520 3 - (0)? - / - / - 0
128S35E2_HUMAN0 34% 0.235 PF03357 0 - (0)? - / - / - 0
129GTR6_HUMAN15 35% 0.390 PF00083 12 - (0)? - / - / - 0
130AAA1_HUMAN5 25% 0.289 PF13520 4 - (0)? - / - / - 0
131S22AB_HUMAN5 43% 0.309 PF00083 12 - (0)? - / - / - 0
132S35B2_HUMAN0 21% 0.223 PF12884 0 - (0)? - / - / - 0
133LAT2_HUMAN6 26% 0.366 PF13520 4 - (0)? - / - / - 0
134S22A6_HUMAN6 43% 0.297 PF00083 15 - (0)? - / - / - 0
135S40A1_HUMAN10 25% 0.299 PF07690 4 - (0)? - / - / - 0
136GHC1_HUMAN13 26% 0.192 PF00153 24 - (0)? - / - / - 0
137S45A4_HUMAN10 23% 0.113 PF07690 2 - (0)? - / - / - 0
138S6A16_HUMAN17 33% 0.322 PF13520 63 - (0)? - / - / - 0
139SC5A3_HUMAN8 38% 0.356 PF00067 3 - (0)? - / - / - 0
140SO1B3_HUMAN9 25% 0.266 PF07690 3 - (0)? - / - / - 0
141MOT2_HUMAN11 33% 0.282 PF07690 22 - (0)? - / - / - 0
142S15A1_HUMAN17 32% 0.081 PF07690 21 - (0)? - / - / - 0
143S27A5_HUMAN20 26% 0.477 PF13193 51 - (21)? - / - / - 0
144S39AD_HUMAN0 33% -0.002 PF00106 12 - (0)? - / - / - 0
145S4A8_HUMAN15 58% 0.452 PF00115 4 - (0)? - / - / - 0
146S39A3_HUMAN0 59% 0.075 PF00144 5 - (0)? - / - / - 0
147GHC2_HUMAN14 36% 0.172 PF00153 25 - (0)? - / - / - 0
148S38A6_HUMAN4 30% 0.253 PF00584 1 - (0)? - / - / - 0
149SOAT_HUMAN5 34% 0.261 PF03936 117 - (0)? - / - / - 0
150MCAT_HUMAN11 27% 0.181 PF00153 19 - (0)? - / - / - 0

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