Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
BDB (Jul 2014)

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
Screening
(Multi Mol2 user file : ALL)




Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number] Nb
R (BestAtome)
1PF00439_BRDT_HUMAN60 100% 0.111 PF00439 C6_S1101 - (0)20 1 / 30 / 25 38--
2PF00069_STK25_HUMAN19 99% 0.349 PF00069 C1_S143 - (12)20 2 / 9 / 9 11 8 0.80
3PF00233_PDE10_MOUSE55 96% 0.191 PF00233 C3_S170 - (8)20 9 / 27 / 19 37--
4PF00068_PA2GA_RAT34 72% 0.386 PF00068 C8_S146 - (0)20 12 / 8 / 9 11--
5PF00069_PIM1_HUMAN49 100% 0.392 PF00069 C1_S1102 - (10)20 - / 27 / 38 41 178 -0.11
6PF00069_CDK1_MOUSE24 65% 0.521 PF00069 C1_S142 - (8)20 1 / 5 / 19 13--
7PF00069_CDK1_HUMAN23 66% 0.533 PF00069 C1_S141 - (7)20 1 / 4 / 20 13 80 -0.29
8PF00017_FES_HUMAN30 99% 0.254 PF00018 C1_S146 - (7)20 8 / 15 / 9 17 13 0.09
9PF00303_TYSY_ECO5760 100% 0.860 PF00303 C7_S1113 - (63)20 - / 9 / 50 11--
10PF07714_FAK1_HUMAN31 100% 0.308 PF07714 C1_S132 - (3)20 4 / 15 / 10 15--
11PF08127_CATB_RAT26 99% 0.575 PF08127 C1_S142 - (0)20 - / 1 / 24 10--
12PF00069_MK14_HUMAN51 100% 0.777 PF00069 C1_S169 - (5)20 13 / 25 / 16 41 271 0.12
13PF02898_NOS3_HUMAN60 100% 0.250 PF02898 C1_S1212 - (12)20 60 / - / 69 22--
14PF07647_TNKS2_HUMAN34 96% 0.077 PF07647 C2_S139 - (0)20 7 / 24 / 7 28--
15PF00112_CATK_HUMAN50 100% 0.538 PF00112 C4_S167 - (0)20 - / 10 / 37 33--
16PF00439_BRD2_HUMAN43 100% 0.084 PF00439 C6_S154 - (0)20 - / 15 / 20 15--
17PF00069_MK10_HUMAN37 100% 0.384 PF00069 C2_S150 - (7)20 9 / 16 / 10 26 137 0.35
18PF00105_VDR_RAT50 99% 0.298 PF00105 C5_S169 - (0)20 49 / 2 / - 42--
19PF00248_AK1CL_MOUSE46 100% 0.627 PF00248 C7_S1102 - (78)20 40 / 7 / 19 14--
20PF00018_LYN_MOUSE62 99% 0.468 PF00018 C3_S172 - (3)20 26 / 30 / 6 19--
21PF00018_BLK_MOUSE29 75% 0.466 PF00018 C2_S140 - (4)20 8 / 18 / 5 22--
22PF00018_ABL2_HUMAN69 100% 0.370 PF00018 C3_S181 - (9)20 40 / 28 / 7 24 40 0.28
23PF00089_FA10_RABIT44 84% 0.295 PF00089 C3_S152 - (0)20 2 / 36 / 4 30--
24PF00069_KAPCA_BOVIN66 100% 0.761 PF00069 C1_S1144 - (9)20 17 / 54 / 48 38 1 -
25PF03098_PGH1_MOUSE37 89% 0.426 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
26PF00348_GGPPS_HUMAN18 100% 0.479 PF00348 C1_S132 - (10)20 2 / 9 / 12 16--
27PF01562_ADA17_HUMAN41 99% 0.165 PF01562 C4_S156 - (0)20 7 / 25 / 9 17--
28PF02898_NOS2_HUMAN40 100% 0.255 PF02898 C1_S1125 - (0)20 40 / - / 71 19--
29PF00069_ST32C_HUMAN20 65% 0.393 PF00433 C1_S151 - (10)20 - / 14 / 9 15 3 0.36
30PF00194_CAH7_MOUSE25 94% 0.524 PF00194 C1_S149 - (5)20 - / - / 19 14--
31PF00107_ADH1A_HUMAN55 100% 0.752 PF00107 C1_S1121 - (75)20 35 / 2 / 32 10--
32PF00017_BMX_HUMAN30 98% 0.224 PF00018 C1_S140 - (2)20 5 / 25 / 3 22 19 0.32
33PF00092_ITAL_MOUSE23 73% 0.326 PF00092 C4_S126 - (0)20 1 / 16 / 6 10--
34PF00069_MP2K4_HUMAN19 100% 0.365 PF00069 C1_S153 - (25)20 - / 20 / 14 18 18 0.16
35PF00105_VDR_CHICK29 96% 0.393 PF00105 C1_S156 - (0)20 23 / 1 / 5 22--
36PF00233_PDE5A_HUMAN34 100% 0.211 PF00233 C3_S156 - (5)20 1 / 28 / 9 18--
37PF00026_CARP_CRYPA47 100% 0.667 PF00026 C5_S1116 - (0)20 14 / 15 / 35 27 1 -
38PF00106_DHI1_RAT55 87% 0.513 PF00106 C2_S1130 - (78)20 55 / 21 / 20 17--
39PF02799_NMT_PLAF736 80% 0.473 PF02799 C1_S170 - (0)20 43 / 24 / - 13--
40PF00569_EP300_HUMAN28 99% 0.139 PF00569 C1_S139 - (0)20 - / 6 / 17 13--
41PF00089_CELA1_HUMAN54 89% 0.467 PF00089 C2_S1104 - (0)20 2 / 1 / 39 12 7 0.70
42PF00071_RASN_HUMAN52 100% 0.620 PF00071 C1_S180 - (0)20 14 / 43 / 12 11--
43PF00156_UMPS_HUMAN49 100% 0.534 PF00156 C3_S1103 - (98)20 - / 15 / 31 9--
44PF00536_EPHB4_HUMAN33 100% 0.179 PF00536 C1_S140 - (13)20 1 / 19 / 13 17--
45PF00069_CDK2_HUMAN63 100% 0.809 PF00069 C1_S197 - (7)20 1 / 21 / 37 37 165 0.16
46PF00105_NR1H2_HUMAN32 100% 0.536 PF00105 C6_S159 - (0)20 16 / 10 / 7 12--
47PF01833_MET_MOUSE44 98% 0.123 PF01833 C1_S157 - (0)20 30 / 12 / 2 31--
48PF01833_RON_MOUSE20 87% 0.115 PF01833 C2_S129 - (0)20 7 / 8 / 6 18--
49PF00135_ACES_TORMA45 97% 0.716 PF00135 C2_S187 - (1)20 8 / 11 / 13 16--
50PF00433_SGK1_HUMAN30 99% 0.368 PF00433 C1_S159 - (9)20 3 / 35 / 6 20--

<< Page / 21 >> - Show