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]
1CCR5_HUMAN20 85% 0.306 PF00001 C2_S154 - (0)2 2 / - / - 1
2CCR1_HUMAN20 48% 0.353 PF00001 C2_S162 - (0)2 2 / - / - 1
3AGRL3_HUMAN23 100% 0.534 PF02140 C2_S113 - (0)1 1 / - / 3 0
4AGRL2_HUMAN20 86% 0.526 PF02140 C1_S113 - (0)1 1 / - / 3 0
5SMO_HUMAN16 100% 0.319 PF01392 C1_S113 - (0)2 1 / - / - 0
6ADRB2_HUMAN37 90% 0.393 PF00001 C3_S1220 - (0)7 - / 8 / 17 0
7GRM2_HUMAN32 99% 0.550 PF07562 C1_S147 - (0)20 - / 7 / 23 10
8ACM1_HUMAN20 63% 0.264 PF00001 C3_S143 - (0)6 - / 7 / - 3
9GRM3_HUMAN35 99% 0.507 PF07562 C1_S137 - (0)17 - / 6 / 18 9
10ADRB1_HUMAN32 86% 0.414 PF00001 C3_S1191 - (0)7 - / 6 / 16 1
11ACM4_HUMAN20 84% 0.218 PF00001 C5_S155 - (0)5 - / 6 / - 3
12GRM8_HUMAN32 71% 0.523 PF07562 C2_S145 - (0)20 - / 4 / 21 10
13GRM6_HUMAN30 66% 0.493 PF07562 C1_S143 - (0)20 - / 4 / 20 10
14GRM4_HUMAN28 68% 0.539 PF07562 C1_S144 - (0)19 - / 4 / 18 10
15GRM7_HUMAN25 99% 0.569 PF07562 C1_S144 - (0)19 - / 3 / 19 10
16GRM5_HUMAN27 99% 0.555 PF07562 C1_S137 - (0)11 - / 3 / 10 7
17GRM1_HUMAN26 99% 0.555 PF07562 C1_S135 - (0)11 - / 3 / 10 7
18OPRK_HUMAN20 98% 0.361 PF00001 C2_S157 - (0)4 - / 3 / 5 2
19OPRX_HUMAN20 98% 0.393 PF00001 C3_S160 - (0)2 - / 3 / 1 1
20CALCR_HUMAN9 65% 0.408 PF02793 C4_S17 - (0)3 - / 3 / - 2
21OPRD_HUMAN20 100% 0.402 PF00001 C2_S147 - (0)1 - / 3 / - 1
22GABR1_HUMAN20 100% 0.579 PF01094 C3_S132 - (0)8 - / 2 / 6 8
235HT1B_HUMAN22 76% 0.281 PF00001 C5_S1174 - (0)3 - / 2 / 1 0
24P2RY1_HUMAN20 97% 0.236 PF00001 C1_S152 - (0)2 - / 2 / 1 1
255HT2C_HUMAN36 47% 0.356 PF00001 C4_S1220 - (0)8 - / 1 / 16 0
26CRFR2_HUMAN13 100% 0.442 PF02793 C4_S122 - (0)? - / 1 / 9 0
27CRFR1_HUMAN12 100% 0.418 PF02793 C4_S110 - (0)? - / 1 / 8 0
28OPRM_HUMAN20 97% 0.365 PF00001 C3_S150 - (0)3 - / 1 / 2 0
29GLR_HUMAN10 99% 0.321 PF00001 C3_S116 - (0)2 - / 1 / 1 0
30S1PR3_HUMAN20 57% 0.338 PF00001 C1_S134 - (0)? - / 1 / - 0
31ACM5_HUMAN20 78% 0.220 PF00001 C2_S147 - (0)1 - / 1 / - 1
32GLP1R_HUMAN8 100% 0.622 PF02793 C5_S116 - (0)? - / 1 / - 0
33S1PR1_HUMAN20 99% 0.284 PF00001 C2_S140 - (0)? - / 1 / - 0
34DRD5_HUMAN34 40% 0.330 PF00001 C5_S1196 - (0)10 - / - / 24 0
35DRD1_HUMAN33 41% 0.354 PF00001 C6_S1214 - (0)10 - / - / 21 0
36ADRB3_HUMAN32 80% 0.322 PF00001 C3_S1285 - (0)10 - / - / 21 0
37CASR_HUMAN24 35% 0.459 PF07562 C2_S137 - (0)15 - / - / 13 6
38AA1R_HUMAN28 53% 0.383 PF00001 C5_S1223 - (0)6 - / - / 7 0
395HT2A_HUMAN30 57% 0.356 PF00001 C6_S1185 - (0)7 - / - / 6 0
40FZD1_HUMAN19 55% 0.444 PF01392 C4_S112 - (0)2 - / - / 5 0
415HT4R_HUMAN24 40% 0.325 PF00001 C4_S1263 - (0)4 - / - / 4 0
42AA2AR_HUMAN31 99% 0.413 PF00001 C5_S1193 - (0)8 - / - / 4 0
43SSR4_HUMAN20 47% 0.414 PF00001 C6_S1223 - (0)5 - / - / 4 0
445HT1D_HUMAN26 55% 0.281 PF00001 C4_S1198 - (0)6 - / - / 4 0
45OPSG_HUMAN21 43% 0.404 PF10413 C10_S123 - (0)5 - / - / 4 0
46CXCR3_HUMAN20 44% 0.187 PF00001 C4_S174 - (0)3 - / - / 3 0
47AA2BR_HUMAN33 63% 0.403 PF00001 C2_S1261 - (0)6 - / - / 3 0
48GPR63_HUMAN20 38% 0.197 PF00001 C3_S174 - (0)5 - / - / 3 0
49OPSR_HUMAN21 42% 0.370 PF10413 C10_S124 - (0)5 - / - / 3 0
50FZD5_HUMAN21 83% 0.220 PF01392 C2_S113 - (0)3 - / - / 3 0

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