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)
1PF00018_LYN_MOUSE62 99% 0.468 PF00018 C3_S172 - (3)20 26 / 30 / 6 19--
2PF00071_RASK_HUMAN64 96% 0.560 PF00071 C1_S198 - (0)20 21 / 47 / 17 15--
3PF04886_MMP9_RAT24 83% 0.378 PF04886 C1_S133 - (0)20 - / 1 / 21 10--
4PF00069_CHK1_HUMAN59 100% 0.296 PF00069 C1_S178 - (4)20 3 / 36 / 20 56 14 0.23
5PF00068_PA2GA_RAT34 72% 0.386 PF00068 C8_S146 - (0)20 12 / 8 / 9 11--
6PF00069_STK24_HUMAN19 98% 0.332 PF00069 C1_S140 - (11)20 2 / 10 / 7 14 11 0.40
7PF13419_HYES_RAT21 91% 0.558 PF13419 C1_S126 - (0)20 - / 13 / 8 16--
8PF00433_KPCA_BOVIN22 98% 0.366 PF00433 C1_S149 - (12)20 - / 23 / 10 14--
9PF00069_CDKL2_HUMAN23 99% 0.339 PF00069 C1_S149 - (8)20 1 / 11 / 14 13 9 -0.03
10PF01712_DCK_MOUSE62 94% 0.711 PF01712 C1_S1151 - (116)20 7 / 52 / 57 23--
11PF02799_NMT_PLAF736 80% 0.473 PF02799 C1_S170 - (0)20 43 / 24 / - 13--
12PF13733_B4GT1_HUMAN56 99% 0.627 PF13733 C1_S1157 - (125)20 - / 27 / 73 10--
13PF02196_BRAF_HUMAN55 100% 0.198 PF02196 C2_S174 - (4)20 18 / 32 / 4 25--
14PF00248_AK1CL_MOUSE46 100% 0.627 PF00248 C7_S1102 - (78)20 40 / 7 / 19 14--
15PF00089_UROK_MOUSE55 71% 0.313 PF00089 C3_S1100 - (0)20 - / 11 / 49 40--
16PF00433_KS6A6_HUMAN26 89% 0.220 PF00433 C1_S140 - (10)20 - / 23 / 4 11--
17PF01471_MMP13_RAT56 97% 0.460 PF01471 C3_S190 - (0)20 20 / 31 / 6 18--
18PF00089_THRB_HUMAN45 100% 0.378 PF00089 C5_S184 - (0)20 15 / 40 / 12 17--
19PF00069_CDK8_HUMAN22 100% 0.394 PF00069 C1_S152 - (7)20 2 / 6 / 14 13 11 -0.08
20PF00069_KAPCB_RAT66 93% 0.794 PF00069 C1_S1147 - (11)20 17 / 48 / 53 39 3 1.00
21PF00069_MK01_RAT49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
22PF00069_MP2K6_HUMAN18 100% 0.396 PF00069 C1_S151 - (22)20 3 / 24 / 6 14 10 -0.11
23PF00433_KS6A2_HUMAN27 90% 0.246 PF00433 C1_S141 - (10)20 - / 24 / 4 11--
24PF01433_LKHA4_CAVPO43 93% 0.776 PF01433 C6_S176 - (0)20 1 / 28 / 19 22--
25PF00018_ABL2_HUMAN69 100% 0.370 PF00018 C3_S181 - (9)20 40 / 28 / 7 24 40 0.28
26PF00069_GSK3B_MOUSE35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 1 -
27PF01048_PNPH_HUMAN40 99% 0.832 PF01048 C5_S149 - (24)20 - / - / 38 16--
28PF01425_FAAH1_MOUSE35 92% 0.521 PF01425 C6_S144 - (0)20 - / 22 / 14 16--
29PF00069_MK14_RAT31 99% 0.742 PF00069 C1_S143 - (5)20 5 / 15 / 9 19--
30PF00105_PPARD_CANFA33 97% 0.492 PF00105 C2_S145 - (0)20 12 / 20 / 1 17--
31PF00254_FKB1A_BOVIN49 100% 0.776 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
32PF00105_NR1H4_HUMAN35 100% 0.338 PF00105 C4_S158 - (0)20 30 / 3 / - 17--
33PF00244_1433S_HUMAN55 100% 0.570 PF00244 C11_S179 - (0)20 7 / 28 / 23 7--
34PF00348_GGPPS_YEAST44 100% 0.422 PF00348 C1_S166 - (26)20 2 / 19 / 26 19--
35PF00106_DHI1_RAT55 87% 0.513 PF00106 C2_S1130 - (78)20 55 / 21 / 20 17--
36PF00069_CDK18_HUMAN26 77% 0.283 PF00069 C1_S138 - (8)20 1 / 12 / 12 18 19 -0.46
37PF00069_STK25_HUMAN19 99% 0.349 PF00069 C1_S143 - (12)20 2 / 9 / 9 11 8 0.80
38PF00433_PKN1_HUMAN22 100% 0.212 PF00433 C1_S151 - (10)20 1 / 25 / 10 17--
39PF02244_CBPB1_PIG59 100% 0.786 PF02244 C2_S162 - (0)20 23 / 17 / 16 23--
40PF00018_ABL1_HUMAN69 100% 0.318 PF00018 C3_S184 - (11)20 48 / 22 / 7 26 258 0.52
41PF10613_GRIK1_RAT46 97% 0.321 PF10613 C1_S162 - (0)20 - / - / 38 12--
42PF01562_ADA17_RAT41 95% 0.172 PF01562 C4_S156 - (0)20 7 / 25 / 9 17--
43PF00069_MP2K2_HUMAN37 86% 0.500 PF00069 C1_S189 - (35)20 5 / 41 / 17 13 31 0.26
44PF00026_BACE1_HUMAN47 100% 0.613 PF00026 C7_S166 - (0)20 17 / 16 / 13 25 43 -0.07
45PF00069_ST32C_HUMAN20 65% 0.393 PF00433 C1_S151 - (10)20 - / 14 / 9 15 3 0.36
46PF00254_FKB1B_HUMAN47 100% 0.765 PF00254 C2_S154 - (0)20 1 / 35 / 5 16--
47PF00069_KC1D_BOVIN35 100% 0.568 PF00069 C1_S151 - (4)20 - / 31 / 6 15 27 -0.13
48PF00433_KPCB_RAT22 96% 0.370 PF00433 C1_S149 - (12)20 - / 24 / 10 14--
49PF00018_CSK_RAT24 100% 0.563 PF00018 C1_S138 - (6)20 8 / 12 / 7 18--
50PF08127_CATB_HUMAN26 100% 0.563 PF08127 C1_S142 - (0)20 - / 1 / 24 12--

<< Page / 21 >> - Show