Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
KINOME (Jul 2013)

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)
50CHK2_HUMAN74 100% 0.621 PF00069 C1_S1123 - (30)20 1 / 24 / 50 38 567 -0.25
51RON_HUMAN70 100% 0.628 PF00018 C2_S1130 - (9)20 21 / 19 / 31 38 424 -0.55
52PLK4_HUMAN61 99% 0.539 PF00069 C2_S1114 - (14)20 3 / 30 / 25 37 875 -0.36
53FAK1_HUMAN97 100% 0.651 PF00018 C2_S1158 - (17)20 33 / 80 / 34 37 517 -0.45
54PIM1_HUMAN62 100% 0.608 PF00069 C1_S192 - (18)20 - / 30 / 32 37 1640 -0.15
55KCC1A_HUMAN92 100% 0.599 PF00069 C1_S1133 - (34)20 - / 45 / 51 37 190 -0.24
56PDPK1_HUMAN57 100% 0.540 PF00069 C2_S192 - (16)20 4 / 38 / 13 37 440 -0.18
57IGF1R_HUMAN67 100% 0.823 PF07714 C2_S1108 - (13)20 7 / 37 / 19 36 267 -0.64
58VGFR2_HUMAN88 100% 0.709 PF07714 C4_S1192 - (13)20 27 / 38 / 26 36 1458 -0.62
59STK3_HUMAN77 91% 0.554 PF00069 C4_S1133 - (47)20 9 / 44 / 28 36 828 -0.17
60NTRK3_HUMAN85 100% 0.613 PF00018 C5_S1193 - (16)20 19 / 47 / 21 36 721 -0.55
61FER_HUMAN102 100% 0.637 PF00018 C2_S1163 - (13)20 41 / 45 / 16 35 387 -0.19
62VGFR1_HUMAN93 100% 0.651 PF07714 C5_S1198 - (16)20 26 / 37 / 31 35 959 -0.67
63FAK2_HUMAN98 100% 0.658 PF00018 C2_S1125 - (15)20 40 / 39 / 16 35 154 -0.01
64ALK_HUMAN68 100% 0.551 PF07714 C1_S1114 - (18)20 8 / 36 / 20 34 713 -0.40
65AKT3_HUMAN71 86% 0.566 PF00433 C1_S192 - (23)20 4 / 42 / 21 34 382 -0.44
66HIPK4_HUMAN49 33% 0.453 PF00069 C1_S1128 - (9)20 - / 10 / 46 34 814 -0.01
67ABL1_HUMAN104 100% 0.834 PF00018 C2_S1170 - (15)20 58 / 29 / 15 34 677 -0.60
68VGFR3_HUMAN95 100% 0.566 PF07714 C5_S1174 - (13)20 27 / 38 / 29 34 956 -0.47
69CSF1R_HUMAN87 94% 0.582 PF07714 C6_S1110 - (19)20 20 / 40 / 25 33 352 -0.62
70MARK3_HUMAN68 99% 0.562 PF00069 C2_S1106 - (15)20 - / 23 / 47 33 754 -0.27
71KIT_HUMAN96 100% 0.579 PF07714 C5_S1168 - (13)20 23 / 39 / 31 32 406 -0.31
72JAK3_HUMAN76 100% 0.573 PF07714 C1_S1128 - (18)20 13 / 34 / 23 32 700 -0.32
73ROS1_HUMAN83 100% 0.592 PF07714 C2_S1136 - (18)20 3 / 33 / 44 32 329 -0.22
74GSK3B_HUMAN44 100% 0.841 PF00069 C1_S175 - (7)20 - / 10 / 31 31 1824 -0.23
75MARK2_HUMAN71 100% 0.570 PF00069 C1_S1108 - (10)20 - / 13 / 57 31 735 -0.28
76MATK_HUMAN100 100% 0.649 PF00018 C2_S1136 - (14)20 35 / 45 / 18 31 132 -0.14
77ERBB2_HUMAN66 100% 0.571 PF01030 C3_S1118 - (13)20 25 / 42 / 19 31 187 -0.44
78SGK1_HUMAN54 99% 0.561 PF00433 C1_S186 - (14)20 2 / 37 / 18 30 731 -0.29
79CSK21_HUMAN82 100% 0.808 PF00069 C1_S1126 - (20)20 2 / 29 / 39 30 639 -0.10
80KPCI_HUMAN47 99% 0.645 PF00433 C2_S165 - (15)20 - / 20 / 29 30 124 -0.25
81FGFR1_HUMAN82 99% 0.598 PF07714 C3_S1102 - (31)10 11 / 33 / 36 30 351 -0.46
82PKN2_HUMAN50 51% 0.633 PF00433 C2_S179 - (22)20 1 / 39 / 14 29 826 -0.37
83PTK6_HUMAN64 100% 0.531 PF00018 C3_S196 - (5)20 13 / 37 / 13 29 140 -0.26
84KPCZ_HUMAN60 85% 0.647 PF00433 C2_S185 - (22)20 - / 21 / 40 29 164 -0.23
85JAK2_HUMAN93 100% 0.554 PF00018 C2_S1166 - (12)20 37 / 45 / 10 27 732 -0.35
86LYN_HUMAN106 100% 0.612 PF00018 C3_S1188 - (7)20 37 / 48 / 18 27 623 -0.52
87KCC1D_HUMAN80 84% 0.633 PF00069 C1_S1115 - (41)20 - / 37 / 47 27 231 -0.62
88ACK1_HUMAN68 100% 0.572 PF00018 C3_S1138 - (20)20 13 / 30 / 22 27 324 -0.62
89LTK_HUMAN62 100% 0.530 PF07714 C1_S1165 - (21)20 8 / 32 / 17 27 527 -0.63
90FES_HUMAN86 100% 0.588 PF00018 C1_S1145 - (14)20 31 / 40 / 12 27 192 0.05
91KPCT_HUMAN56 100% 0.625 PF00433 C1_S177 - (20)20 1 / 39 / 20 27 342 -0.50
92KPCG_HUMAN57 75% 0.535 PF00433 C1_S181 - (27)20 - / 38 / 24 27 467 -0.33
93MK13_HUMAN32 100% 0.604 PF00069 C1_S193 - (7)17 8 / 21 / 9 27 114 -0.11
94SIK2_HUMAN59 54% 0.522 PF00069 C1_S192 - (20)20 2 / 24 / 35 26 59 0.18
95EGFR_HUMAN65 100% 0.520 PF01030 C3_S1129 - (13)20 22 / 44 / 24 26 350 -0.16
96HCK_HUMAN104 100% 0.814 PF00018 C4_S1122 - (7)20 37 / 46 / 18 26 55 -0.18
97GRK5_HUMAN54 72% 0.572 PF00433 C1_S185 - (28)20 - / 31 / 20 26 342 -0.63
98KS6A5_HUMAN41 100% 0.598 PF00433 C1_S153 - (10)20 2 / 29 / 10 24 351 -0.41
99KS6B1_HUMAN50 100% 0.601 PF00433 C1_S183 - (13)20 2 / 29 / 20 24 1030 -0.12
100BRAF_HUMAN47 100% 0.570 PF00018 C2_S1106 - (6)18 16 / 27 / 4 24 14 -

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