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]
1P2Y12_HUMAN19 100% 0.290 PF00001 67 - (0)? - / - / - 0
2NK1R_HUMAN20 100% 0.245 PF00001 52 - (0)? - / - / - 0
3LGR5_HUMAN19 100% 0.446 PF01462 24 - (0)4 - / - / - 0
4GABR1_HUMAN20 100% 0.579 PF01094 C3_S132 - (0)8 - / 2 / 6 8
5AGRL3_HUMAN23 100% 0.534 PF02140 C2_S113 - (0)1 1 / - / 3 0
6GABR2_HUMAN20 100% 0.488 PF07562 48 - (0)? - / - / - 0
7LPAR1_HUMAN20 100% 0.290 PF00001 27 - (0)? - / - / - 0
8SMO_HUMAN16 100% 0.319 PF01392 C1_S113 - (0)2 1 / - / - 0
9CRFR1_HUMAN12 100% 0.418 PF02793 C4_S110 - (0)? - / 1 / 8 0
10OPRD_HUMAN20 100% 0.402 PF00001 C2_S147 - (0)1 - / 3 / - 1
11FZD4_HUMAN16 100% 0.551 PF01392 12 - (0)2 - / - / - 0
12DRD3_HUMAN12 100% 0.299 PF00001 126 - (0)? - / - / - 0
13LGR4_HUMAN19 100% 0.407 PF01462 23 - (0)? - / - / - 0
14GLP1R_HUMAN8 100% 0.622 PF02793 C5_S116 - (0)? - / 1 / - 0
15OX2R_HUMAN20 100% 0.299 PF00001 93 - (0)? - / - / - 0
16FZD8_HUMAN14 100% 0.566 PF01392 13 - (0)? - / - / - 0
17CRFR2_HUMAN13 100% 0.442 PF02793 C4_S122 - (0)? - / 1 / 9 0
18CXCR1_HUMAN20 100% 0.227 PF00001 69 - (0)2 - / - / - 0
19GRM2_HUMAN32 99% 0.550 PF07562 C1_S147 - (0)20 - / 7 / 23 10
20GRM3_HUMAN35 99% 0.507 PF07562 C1_S137 - (0)17 - / 6 / 18 9
21AA2AR_HUMAN31 99% 0.413 PF00001 C5_S1193 - (0)8 - / - / 4 0
22GRM7_HUMAN25 99% 0.569 PF07562 C1_S144 - (0)19 - / 3 / 19 10
23GRM1_HUMAN26 99% 0.555 PF07562 C1_S135 - (0)11 - / 3 / 10 7
24S1PR1_HUMAN20 99% 0.284 PF00001 C2_S140 - (0)? - / 1 / - 0
25GLR_HUMAN10 99% 0.321 PF00001 C3_S116 - (0)2 - / 1 / 1 0
26CXCR4_HUMAN20 99% 0.277 PF00001 C5_S155 - (0)? - / - / 2 0
27GRM5_HUMAN27 99% 0.555 PF07562 C1_S137 - (0)11 - / 3 / 10 7
28OPRK_HUMAN20 98% 0.361 PF00001 C2_S157 - (0)4 - / 3 / 5 2
29OPRX_HUMAN20 98% 0.393 PF00001 C3_S160 - (0)2 - / 3 / 1 1
30FFAR1_HUMAN13 98% 0.366 PF10413 80 - (0)? - / - / - 0
31ACM3_HUMAN20 98% 0.237 PF00001 83 - (0)? - / - / - 0
32ACM2_HUMAN19 97% 0.222 PF00001 C9_S1106 - (0)1 - / - / 1 0
33OPRM_HUMAN20 97% 0.365 PF00001 C3_S150 - (0)3 - / 1 / 2 0
34P2RY1_HUMAN20 97% 0.236 PF00001 C1_S152 - (0)2 - / 2 / 1 1
35AGRL1_HUMAN15 97% 0.609 PF02793 2 - (0)1 - / - / - 0
36GHRHR_HUMAN6 96% 0.408 PF02793 20 - (0)? - / - / - 0
37HRH1_HUMAN20 96% 0.204 PF00001 134 - (0)? - / - / - 0
38CNR1_HUMAN20 95% 0.245 PF00001 84 - (0)? - / - / - 0
39OPSD_HUMAN26 93% 0.359 PF10413 C8_S124 - (0)5 - / - / 3 0
40V2R_HUMAN13 93% 0.307 PF10413 72 - (0)? - / - / - 0
41ADRB2_HUMAN37 90% 0.393 PF00001 C3_S1220 - (0)7 - / 8 / 17 0
42NTR1_HUMAN20 90% 0.476 PF00001 75 - (0)2 - / - / - 0
43CXCR2_HUMAN20 87% 0.267 PF00001 71 - (0)1 - / - / - 0
44AGRL2_HUMAN20 86% 0.526 PF02140 C1_S113 - (0)1 1 / - / 3 0
45AGRE2_HUMAN18 86% 0.354 PF00084 1 - (0)? - / - / - 0
46ADRB1_HUMAN32 86% 0.414 PF00001 C3_S1191 - (0)7 - / 6 / 16 1
47CCR5_HUMAN20 85% 0.306 PF00001 C2_S154 - (0)2 2 / - / - 1
48CD97_HUMAN18 85% 0.367 PF00084 1 - (0)? - / - / - 0
49ACM4_HUMAN20 84% 0.218 PF00001 C5_S155 - (0)5 - / 6 / - 3
50FZD5_HUMAN21 83% 0.220 PF01392 C2_S113 - (0)3 - / - / 3 0

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