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]
100MAST3_HUMAN53 38% 0.575 PF08912 C2_S169 - (10)20 - / 18 / 39 26
101CDKL4_HUMAN71 72% 0.575 PF00069 C1_S195 - (7)20 - / 17 / 50 40
102RIOK3_HUMAN5 39% 0.575 PF09202 C2_S129 - (4)8 - / 1 / 7 4
103NTRK3_HUMAN86 95% 0.575 PF07714 C5_S1121 - (9)20 12 / 52 / 23 32
104ERBB4_HUMAN66 100% 0.574 PF01030 C5_S170 - (19)20 14 / 28 / 22 28
105ROCK1_HUMAN48 100% 0.573 PF08912 C3_S156 - (5)20 - / 24 / 26 26
106EPHB1_HUMAN72 100% 0.572 PF00018 C1_S178 - (18)20 14 / 27 / 29 30
107GRK6_HUMAN71 100% 0.572 PF00615 C1_S191 - (30)20 1 / 42 / 25 1
108MK13_HUMAN83 100% 0.572 PF00069 C1_S198 - (9)19 15 / 45 / 23 24
109MRCKA_HUMAN59 99% 0.572 PF08912 C3_S165 - (7)20 - / 25 / 35 26
110BMX_HUMAN112 98% 0.572 PF00018 C1_S1129 - (7)20 22 / 60 / 33 47
111CSK_HUMAN109 100% 0.571 PF00018 C1_S1125 - (13)20 40 / 53 / 16 25
112M3KL4_HUMAN93 38% 0.570 PF00018 C2_S1103 - (12)20 7 / 52 / 29 24
113CDKL3_HUMAN102 99% 0.569 PF00069 C3_S1124 - (11)20 1 / 20 / 82 56
114ROS1_HUMAN68 50% 0.569 PF07714 C2_S178 - (29)20 3 / 19 / 41 20
115BRSK1_HUMAN23 50% 0.569 PF00069 C3_S178 - (12)17 - / 4 / 18 8
116SGK2_HUMAN65 72% 0.566 PF00433 C1_S190 - (10)20 1 / 48 / 19 38
117CDK19_HUMAN105 88% 0.566 PF00069 C1_S1147 - (8)20 4 / 18 / 90 88
118TNIK_HUMAN86 100% 0.566 PF00069 C1_S1100 - (20)20 2 / 43 / 40 35
119FER_HUMAN110 66% 0.566 PF00018 C2_S1131 - (15)20 39 / 50 / 20 35
120CDK3_HUMAN98 77% 0.565 PF00069 C1_S1119 - (8)20 2 / 36 / 51 59
121RK_HUMAN61 84% 0.563 PF00615 C1_S178 - (25)20 1 / 33 / 25 1
122KIT_HUMAN87 96% 0.563 PF07714 C2_S192 - (25)20 24 / 29 / 33 34
123EPHA8_HUMAN69 100% 0.563 PF07714 C3_S173 - (18)20 4 / 27 / 36 26
124VGFR1_HUMAN88 100% 0.562 PF07714 C6_S193 - (22)20 31 / 31 / 26 37
125BRSK2_HUMAN24 50% 0.562 PF00069 C1_S176 - (12)16 1 / 2 / 23 7
126KS6A3_HUMAN9 100% 0.562 PF00433 C3_S111 - (0)9 - / 4 / 5 7
127CHK2_HUMAN71 100% 0.562 PF00069 C1_S1119 - (25)20 1 / 22 / 47 35
128BRAF_HUMAN79 100% 0.561 PF02196 C2_S1105 - (5)20 27 / 40 / 12 34
129MK12_HUMAN95 100% 0.561 PF00069 C1_S1116 - (9)19 20 / 49 / 29 32
130WEE1_HUMAN9 100% 0.561 PF00069 C1_S139 - (8)20 6 / 6 / 7 11
131SGK3_HUMAN62 73% 0.560 PF00433 C2_S179 - (10)20 1 / 47 / 13 38
132FES_HUMAN107 99% 0.560 PF00018 C1_S1136 - (17)20 34 / 47 / 28 30
133CDKL1_HUMAN101 98% 0.560 PF00069 C1_S1128 - (8)20 1 / 42 / 54 53
134LATS1_HUMAN36 44% 0.560 PF08912 C2_S142 - (9)20 - / 23 / 14 22
135CDK8_HUMAN104 100% 0.559 PF00069 C1_S1142 - (6)20 3 / 20 / 88 85
136RON_HUMAN48 99% 0.559 PF01833 C2_S155 - (0)20 18 / 18 / 15 27
137TNK1_HUMAN84 48% 0.559 PF07714 C2_S1115 - (11)20 14 / 38 / 28 33
138PDK1_HUMAN34 100% 0.559 PF02518 C2_S146 - (38)14 2 / 20 / 14 5
139SGK1_HUMAN62 99% 0.559 PF00433 C1_S178 - (11)20 2 / 48 / 10 37
140MARK1_HUMAN38 100% 0.559 PF00069 C2_S199 - (12)19 - / 12 / 23 15
141ILK_HUMAN2 99% 0.557 PF07714 C2_S127 - (7)5 - / 4 / - 2
142NTRK2_HUMAN92 100% 0.557 PF01030 C2_S1127 - (12)20 12 / 56 / 25 41
143KPSH2_HUMAN50 45% 0.556 PF00069 C1_S1110 - (32)20 - / 10 / 39 18
144PAK1_HUMAN96 100% 0.556 PF00069 C1_S1121 - (27)20 5 / 49 / 44 31
145UFO_HUMAN107 69% 0.556 PF00018 C3_S1126 - (9)20 42 / 44 / 21 69
146STK4_HUMAN93 99% 0.556 PF00069 C3_S1122 - (27)20 6 / 51 / 38 36
147TAOK3_HUMAN80 81% 0.556 PF00069 C3_S1100 - (20)20 5 / 30 / 46 31
148PMYT1_HUMAN12 100% 0.556 PF00069 C1_S142 - (7)20 2 / 9 / 10 12
149PDK2_HUMAN34 100% 0.556 PF02518 C2_S149 - (39)14 2 / 18 / 17 5
150PIM1_HUMAN84 100% 0.555 PF00069 C1_S1108 - (15)20 - / 45 / 38 60

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