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]
100TIE2_HUMAN101 100% 0.504 PF07714 C1_S1139 - (20)20 13 / 28 / 60 46
101MET_HUMAN88 100% 0.598 PF01833 C2_S1106 - (8)20 41 / 21 / 27 51
102KCC4_HUMAN78 100% 0.471 PF00069 C2_S1123 - (27)20 1 / 31 / 43 27
103NTRK2_HUMAN92 100% 0.557 PF01030 C2_S1127 - (12)20 12 / 56 / 25 41
104MERTK_HUMAN110 100% 0.587 PF00018 C1_S1131 - (7)20 51 / 45 / 15 68
105VRK1_HUMAN7 100% 0.480 PF00069 C1_S136 - (3)13 - / 11 / 7 5
106ARBK1_HUMAN67 100% 0.531 PF00615 C1_S180 - (27)20 - / 36 / 30 30
107CHK1_HUMAN83 100% 0.518 PF00069 C1_S1109 - (5)20 3 / 57 / 23 70
108MYLK4_HUMAN81 100% 0.465 PF00069 C1_S195 - (36)20 1 / 35 / 43 28
109MK08_HUMAN87 100% 0.529 PF00069 C1_S1101 - (11)20 17 / 42 / 26 45
110CSKP_HUMAN46 100% 0.591 PF00069 C2_S1112 - (31)15 - / 5 / 40 15
111DDR1_HUMAN106 100% 0.631 PF00018 C1_S1116 - (12)20 54 / 39 / 14 33
112EGFR_HUMAN68 100% 0.507 PF01030 C2_S172 - (19)20 18 / 27 / 22 29
113TNIK_HUMAN86 100% 0.566 PF00069 C1_S1100 - (20)20 2 / 43 / 40 35
114PK3CA_HUMAN7 100% 0.529 PF00613 C3_S113 - (1)11 - / 5 / 4 6
115PIM1_HUMAN84 100% 0.555 PF00069 C1_S1108 - (15)20 - / 45 / 38 60
116KS6B1_HUMAN58 100% 0.585 PF00433 C1_S178 - (11)20 2 / 44 / 14 32
117RAF1_HUMAN86 100% 0.421 PF02196 C2_S1125 - (10)20 28 / 43 / 14 32
118ST32A_HUMAN24 100% 0.531 PF00069 C1_S145 - (9)20 - / 20 / 7 14
119KS6A3_HUMAN9 100% 0.562 PF00433 C3_S111 - (0)9 - / 4 / 5 7
120TAF1_HUMAN4 100% 0.798 PF00439 112 - (0)2 - / - / - 0
121BTK_HUMAN100 100% 0.672 PF00018 C1_S1117 - (3)20 24 / 48 / 31 58
122IRAK4_HUMAN95 100% 0.488 PF07714 C2_S1110 - (0)20 4 / 42 / 48 25
123AKT2_HUMAN106 100% 0.512 PF00433 C1_S1130 - (25)20 7 / 74 / 24 44
124PLK1_HUMAN71 100% 0.540 PF00069 C2_S1101 - (14)20 7 / 28 / 37 33
125CSK_HUMAN109 100% 0.571 PF00018 C1_S1125 - (13)20 40 / 53 / 16 25
126FLT3_HUMAN45 100% 0.527 PF07714 C2_S182 - (4)19 1 / 27 / 11 17
127PDPK1_HUMAN50 100% 0.520 PF00069 C2_S181 - (11)20 5 / 34 / 10 36
128FGFR4_HUMAN72 100% 0.619 PF07714 C3_S180 - (28)20 10 / 21 / 38 19
129ACK1_HUMAN50 100% 0.495 PF01030 C3_S198 - (26)20 10 / 19 / 22 20
130CDK2_HUMAN98 100% 0.809 PF00069 C1_S1121 - (8)20 2 / 36 / 50 61
131DAPK1_HUMAN54 100% 0.538 PF00069 C1_S183 - (33)20 1 / 14 / 35 15
132PDK2_HUMAN34 100% 0.556 PF02518 C2_S149 - (39)14 2 / 18 / 17 5
133BMR1B_HUMAN45 100% 0.486 PF08515 C1_S161 - (2)20 3 / 31 / 12 19
134EPHA7_HUMAN79 100% 0.648 PF00018 C2_S191 - (18)20 6 / 35 / 38 37
135KC1E_HUMAN56 100% 0.794 PF00069 C1_S178 - (6)20 - / 40 / 19 21
136ABL2_HUMAN96 100% 0.861 PF00018 C4_S1101 - (11)20 52 / 35 / 9 29
137MTOR_HUMAN10 100% 0.547 PF08771 C1_S110 - (0)6 1 / 9 / - 3
138MK12_HUMAN95 100% 0.561 PF00069 C1_S1116 - (9)19 20 / 49 / 29 32
139RIPK1_HUMAN75 100% 0.521 PF00018 C1_S194 - (6)20 12 / 30 / 30 17
140M3K14_HUMAN22 100% 0.550 PF00069 C1_S1111 - (26)20 3 / 19 / 9 11
141STK39_HUMAN90 100% 0.504 PF00069 C2_S1117 - (25)17 2 / 42 / 47 32
142DMPK_HUMAN53 100% 0.538 PF08912 C2_S170 - (9)20 - / 18 / 36 26
143KS6A5_HUMAN47 100% 0.534 PF00433 C1_S148 - (6)20 3 / 36 / 8 28
144BMP2K_HUMAN16 99% 0.516 PF00069 C1_S134 - (0)20 2 / 4 / 14 6
145JAK1_HUMAN51 99% 0.480 PF00017 C1_S157 - (0)20 2 / 39 / 11 19
146KCC2A_HUMAN45 99% 0.432 PF00069 C1_S197 - (28)20 - / 13 / 31 12
147PASK_HUMAN81 99% 0.436 PF00069 C1_S195 - (9)20 - / 33 / 49 23
148MRCKA_HUMAN59 99% 0.572 PF08912 C3_S165 - (7)20 - / 25 / 35 26
149RIPK2_HUMAN11 99% 0.489 PF07714 C1_S136 - (7)20 6 / 3 / 12 9
150PAK6_HUMAN76 99% 0.537 PF00069 C1_S1112 - (19)20 7 / 32 / 38 27

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