Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
GPCR_HUMAN_201601 (GPCR_HUMAN - Jan 2016)

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]
1GRM6_HUMAN30 66% 0.493 PF07562 C1_S143 - (0)20 - / 4 / 20 10
2GRM2_HUMAN32 99% 0.550 PF07562 C1_S147 - (0)20 - / 7 / 23 10
3GRM8_HUMAN32 71% 0.523 PF07562 C2_S145 - (0)20 - / 4 / 21 10
4GRM4_HUMAN28 68% 0.539 PF07562 C1_S144 - (0)19 - / 4 / 18 10
5GRM7_HUMAN25 99% 0.569 PF07562 C1_S144 - (0)19 - / 3 / 19 10
6GRM3_HUMAN35 99% 0.507 PF07562 C1_S137 - (0)17 - / 6 / 18 9
7CASR_HUMAN24 35% 0.459 PF07562 C2_S137 - (0)15 - / - / 13 6
8GRM1_HUMAN26 99% 0.555 PF07562 C1_S135 - (0)11 - / 3 / 10 7
9GRM5_HUMAN27 99% 0.555 PF07562 C1_S137 - (0)11 - / 3 / 10 7
10ADRB3_HUMAN32 80% 0.322 PF00001 C3_S1285 - (0)10 - / - / 21 0
11DRD1_HUMAN33 41% 0.354 PF00001 C6_S1214 - (0)10 - / - / 21 0
12DRD5_HUMAN34 40% 0.330 PF00001 C5_S1196 - (0)10 - / - / 24 0
13GABR1_HUMAN20 100% 0.579 PF01094 C3_S132 - (0)8 - / 2 / 6 8
14AA2AR_HUMAN31 99% 0.413 PF00001 C5_S1193 - (0)8 - / - / 4 0
155HT2C_HUMAN36 47% 0.356 PF00001 C4_S1220 - (0)8 - / 1 / 16 0
16ADA1B_HUMAN27 36% 0.322 PF00001 C7_S1224 - (0)7 - / - / 3 0
175HT2A_HUMAN30 57% 0.356 PF00001 C6_S1185 - (0)7 - / - / 6 0
18ADRB2_HUMAN37 90% 0.393 PF00001 C3_S1220 - (0)7 - / 8 / 17 0
19ADRB1_HUMAN32 86% 0.414 PF00001 C3_S1191 - (0)7 - / 6 / 16 1
20AA2BR_HUMAN33 63% 0.403 PF00001 C2_S1261 - (0)6 - / - / 3 0
21ACM1_HUMAN20 63% 0.264 PF00001 C3_S143 - (0)6 - / 7 / - 3
22AA1R_HUMAN28 53% 0.383 PF00001 C5_S1223 - (0)6 - / - / 7 0
235HT1D_HUMAN26 55% 0.281 PF00001 C4_S1198 - (0)6 - / - / 4 0
24ADA1A_HUMAN26 37% 0.330 PF00001 C5_S1162 - (0)6 - / - / 2 0
25OPSD_HUMAN26 93% 0.359 PF10413 C8_S124 - (0)5 - / - / 3 0
26OPSG_HUMAN21 43% 0.404 PF10413 C10_S123 - (0)5 - / - / 4 0
27TRFR_HUMAN20 40% 0.309 PF00001 C2_S1149 - (0)5 - / - / 2 0
28SSR4_HUMAN20 47% 0.414 PF00001 C6_S1223 - (0)5 - / - / 4 0
29OPSR_HUMAN21 42% 0.370 PF10413 C10_S124 - (0)5 - / - / 3 0
305HT1E_HUMAN23 44% 0.271 PF00001 C5_S1124 - (0)5 - / - / 2 0
31ACM4_HUMAN20 84% 0.218 PF00001 C5_S155 - (0)5 - / 6 / - 3
325HT7R_HUMAN24 38% 0.314 PF00001 C5_S1230 - (0)5 - / - / 2 0
33GPR63_HUMAN20 38% 0.197 PF00001 C3_S174 - (0)5 - / - / 3 0
34CCR9_HUMAN20 40% 0.309 PF00001 C4_S172 - (0)4 - / - / 1 0
355HT4R_HUMAN24 40% 0.325 PF00001 C4_S1263 - (0)4 - / - / 4 0
36LGR5_HUMAN19 100% 0.446 PF01462 24 - (0)4 - / - / - 0
37OPRK_HUMAN20 98% 0.361 PF00001 C2_S157 - (0)4 - / 3 / 5 2
38SSR2_HUMAN23 44% 0.317 PF00001 203 - (0)4 - / - / - 0
39GPR45_HUMAN20 38% 0.285 PF00001 76 - (0)3 - / - / - 0
40NMUR1_HUMAN20 39% 0.318 PF00001 60 - (0)3 - / - / - 0
41FZD5_HUMAN21 83% 0.220 PF01392 C2_S113 - (0)3 - / - / 3 0
42OPRM_HUMAN20 97% 0.365 PF00001 C3_S150 - (0)3 - / 1 / 2 0
43AGTR2_HUMAN20 34% 0.358 PF00001 66 - (0)3 - / - / - 0
44CXCR3_HUMAN20 44% 0.187 PF00001 C4_S174 - (0)3 - / - / 3 0
45CALCR_HUMAN9 65% 0.408 PF02793 C4_S17 - (0)3 - / 3 / - 2
465HT1B_HUMAN22 76% 0.281 PF00001 C5_S1174 - (0)3 - / 2 / 1 0
47SMO_HUMAN16 100% 0.319 PF01392 C1_S113 - (0)2 1 / - / - 0
48OPRX_HUMAN20 98% 0.393 PF00001 C3_S160 - (0)2 - / 3 / 1 1
49CCR2_HUMAN20 63% 0.311 PF00001 65 - (0)2 - / - / - 0
50GLR_HUMAN10 99% 0.321 PF00001 C3_S116 - (0)2 - / 1 / 1 0

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