Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
KINOME_2015 (Oct 2015)

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]
50CLK3_HUMAN20 100% 0.469 PF00069 C1_S134 - (11)19 - / 14 / 9 10
51KCC1A_HUMAN63 100% 0.537 PF00069 C1_S1131 - (22)20 - / 31 / 30 27
52CHK2_HUMAN71 100% 0.562 PF00069 C1_S1119 - (25)20 1 / 22 / 47 35
53ABL2_HUMAN96 100% 0.861 PF00018 C4_S1101 - (11)20 52 / 35 / 9 29
54ABL1_HUMAN34 100% 0.827 PF00018 C3_S134 - (4)20 23 / 11 / - 12
55LIMK2_HUMAN21 100% 0.586 PF07714 C3_S144 - (8)20 4 / 9 / 11 11
56KC1G3_HUMAN54 100% 0.505 PF00069 C1_S183 - (8)20 - / 18 / 40 22
57EPHB1_HUMAN72 100% 0.572 PF00018 C1_S178 - (18)20 14 / 27 / 29 30
58ST32A_HUMAN24 100% 0.531 PF00069 C1_S145 - (9)20 - / 20 / 7 14
59RIPK1_HUMAN75 100% 0.521 PF00018 C1_S194 - (6)20 12 / 30 / 30 17
60PAK1_HUMAN96 100% 0.556 PF00069 C1_S1121 - (27)20 5 / 49 / 44 31
61FAK1_HUMAN90 100% 0.541 PF00018 C2_S195 - (17)20 21 / 38 / 30 40
62MP2K6_HUMAN79 100% 0.474 PF00069 C1_S1149 - (49)20 7 / 57 / 41 9
63MK03_HUMAN93 100% 0.756 PF00069 C1_S1123 - (26)20 6 / 36 / 51 47
64AKT2_HUMAN106 100% 0.512 PF00433 C1_S1130 - (25)20 7 / 74 / 24 44
65MP2K7_HUMAN65 100% 0.544 PF00069 C1_S1128 - (47)20 4 / 47 / 42 21
66CDK8_HUMAN104 100% 0.559 PF00069 C1_S1142 - (6)20 3 / 20 / 88 85
67BTK_HUMAN100 100% 0.672 PF00018 C1_S1117 - (3)20 24 / 48 / 31 58
68CDK7_HUMAN99 100% 0.524 PF00069 C1_S1123 - (11)20 2 / 36 / 59 54
69SRC_HUMAN61 100% 0.860 PF00018 C3_S168 - (4)20 20 / 34 / 8 33
70KS6A3_HUMAN9 100% 0.562 PF00433 C3_S111 - (0)9 - / 4 / 5 7
71PLK4_HUMAN80 100% 0.501 PF00069 C2_S1116 - (17)20 5 / 38 / 36 51
72FAK2_HUMAN93 100% 0.518 PF00018 C2_S199 - (15)20 31 / 36 / 27 39
73AAK1_HUMAN6 100% 0.518 PF00069 C1_S126 - (7)17 2 / 2 / 12 6
74TYK2_HUMAN94 100% 0.525 PF00017 C1_S1101 - (0)20 7 / 63 / 25 41
75KC1E_HUMAN56 100% 0.794 PF00069 C1_S178 - (6)20 - / 40 / 19 21
76PK3CA_HUMAN7 100% 0.529 PF00613 C3_S113 - (1)11 - / 5 / 4 6
77OXSR1_HUMAN83 100% 0.520 PF00069 C2_S1113 - (23)20 2 / 33 / 49 32
78EPHB4_HUMAN79 100% 0.636 PF07714 C1_S188 - (18)20 6 / 32 / 39 36
79INSR_HUMAN72 100% 0.775 PF01030 C1_S190 - (10)20 7 / 46 / 19 41
80DDR1_HUMAN106 100% 0.631 PF00018 C1_S1116 - (12)20 54 / 39 / 14 33
81FLT3_HUMAN45 100% 0.527 PF07714 C2_S182 - (4)19 1 / 27 / 11 17
82TTK_HUMAN18 100% 0.599 PF00069 C1_S152 - (7)18 1 / 13 / 7 14
83IGF1R_HUMAN69 100% 0.813 PF01030 C1_S187 - (10)20 6 / 45 / 17 39
84AURKA_HUMAN95 100% 0.576 PF00069 C1_S1110 - (20)20 10 / 68 / 16 64
85KS6A1_HUMAN49 100% 0.587 PF00433 C3_S157 - (11)20 2 / 39 / 8 26
86CDK1_HUMAN101 100% 0.544 PF00069 C1_S1124 - (9)20 2 / 42 / 55 56
87RAF1_HUMAN86 100% 0.421 PF02196 C2_S1125 - (10)20 28 / 43 / 14 32
88AVR2A_HUMAN37 100% 0.529 PF08515 C2_S197 - (0)20 1 / 27 / 10 17
89PLK1_HUMAN71 100% 0.540 PF00069 C2_S1101 - (14)20 7 / 28 / 37 33
90LIMK1_HUMAN69 100% 0.503 PF00018 C3_S1121 - (11)20 8 / 33 / 30 19
91AKT1_HUMAN107 100% 0.511 PF00433 C1_S1133 - (20)20 6 / 79 / 21 53
92MK10_HUMAN83 100% 0.523 PF00069 C2_S1100 - (10)20 26 / 37 / 20 49
93KSYK_HUMAN107 100% 0.528 PF07714 C3_S1126 - (19)20 10 / 57 / 40 44
94ARBK1_HUMAN67 100% 0.531 PF00615 C1_S180 - (27)20 - / 36 / 30 30
95VGFR2_HUMAN89 100% 0.636 PF07714 C3_S194 - (25)20 31 / 30 / 29 34
96KCC1G_HUMAN56 100% 0.553 PF00069 C3_S1121 - (19)20 1 / 24 / 29 26
97KPCT_HUMAN61 100% 0.586 PF00433 C1_S176 - (13)20 3 / 51 / 8 32
98PMYT1_HUMAN12 100% 0.556 PF00069 C1_S142 - (7)20 2 / 9 / 10 12
99MAPK2_HUMAN38 100% 0.483 PF00069 C1_S173 - (17)20 - / 25 / 13 12
100ROCK2_HUMAN38 100% 0.614 PF08912 C2_S147 - (0)20 - / 12 / 28 18

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