Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
PK_HUMAN_I30_2020M9 (2020 - Homo sapiens - Protein Kinase family)

Download : Data.csv | 3D Common Core | 3D Models | DB.fasta


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]
50FER_HUMAN486 67% 0.27 PF00018 C2_S1564 - (40)20 129 / 208 / 138 140
51KPCG_HUMAN435 77% 0.36 PF00069 C2_S1564 - (115)20 16 / 241 / 160 135
52CDKL4_HUMAN507 71% 0.42 PF00069 C1_S1562 - (36)19 3 / 192 / 302 307
53CDKL3_HUMAN509 99% 0.28 PF00069 C3_S1562 - (38)20 3 / 224 / 269 190
54CDK15_HUMAN508 56% 0.35 PF00069 C1_S1559 - (43)20 6 / 239 / 253 304
55AAPK2_HUMAN448 100% 0.42 PF00069 C3_S1558 - (95)20 28 / 174 / 183 137
56CDK14_HUMAN508 61% 0.34 PF00069 C1_S1557 - (46)20 6 / 241 / 252 311
57CDK19_HUMAN504 93% 0.39 PF00069 C3_S1557 - (39)20 8 / 228 / 256 281
58AKT3_HUMAN447 87% 0.46 PF00069 C1_S1556 - (117)20 28 / 240 / 162 181
59CDK10_HUMAN509 46% 0.40 PF00069 C1_S1555 - (46)20 3 / 235 / 267 303
60CDKL2_HUMAN492 99% 0.33 PF00069 C3_S1554 - (42)20 3 / 224 / 254 256
61CSF1R_HUMAN470 88% 0.16 PF00018 C7_S1554 - (64)20 77 / 167 / 196 83
62NTRK1_HUMAN427 100% 0.21 PF00018 C4_S1551 - (61)20 83 / 214 / 121 111
63NTRK2_HUMAN443 100% 0.20 PF00018 C4_S1550 - (61)20 82 / 231 / 125 155
64GSK3A_HUMAN498 89% 0.59 PF00069 C2_S1550 - (36)20 5 / 152 / 332 245
65CDK12_HUMAN510 100% 0.12 PF00069 C3_S1549 - (45)20 7 / 262 / 228 172
66CDK13_HUMAN509 100% 0.12 PF00069 C4_S1549 - (47)20 9 / 264 / 223 164
67UFO_HUMAN422 100% 0.17 PF00018 C5_S1548 - (59)20 115 / 165 / 128 129
68DDR2_HUMAN494 100% 0.17 PF00018 C1_S1548 - (80)20 140 / 204 / 133 108
69CDK4_HUMAN508 100% 0.45 PF00069 C1_S1548 - (40)20 8 / 250 / 232 319
70MK03_HUMAN448 100% 0.69 PF00069 C1_S1546 - (45)20 45 / 196 / 197 282
71BTK_HUMAN502 100% 0.36 PF00018 C3_S1546 - (31)20 181 / 209 / 106 213
72MK10_HUMAN446 100% 0.41 PF00069 C2_S1545 - (29)20 93 / 227 / 113 276
73CDK6_HUMAN512 100% 0.72 PF00069 C1_S1545 - (41)20 8 / 256 / 233 324
74MK07_HUMAN448 100% 0.26 PF00069 C1_S1544 - (48)20 41 / 197 / 184 248
75MK01_HUMAN459 100% 0.78 PF00069 C1_S1541 - (45)20 44 / 200 / 202 299
76MK14_HUMAN453 100% 0.78 PF00069 C1_S1541 - (40)20 110 / 210 / 110 307
77PGFRA_HUMAN449 99% 0.18 PF00018 C7_S1539 - (48)20 8 / 48 / 355 16
78NEK6_HUMAN490 87% 0.42 PF00069 C1_S1538 - (38)20 1 / 56 / 380 260
79KPCA_HUMAN419 99% 0.38 PF00069 C2_S1538 - (116)20 13 / 212 / 171 131
80MK13_HUMAN444 100% 0.52 PF00069 C1_S1538 - (39)20 84 / 205 / 138 307
81KPCL_HUMAN417 100% 0.29 PF00069 C2_S1537 - (101)20 24 / 228 / 150 164
82AURKC_HUMAN408 98% 0.49 PF00069 C1_S1533 - (108)20 27 / 209 / 153 195
83PKN1_HUMAN402 100% 0.22 PF00069 C4_S1532 - (105)20 8 / 154 / 186 115
84NLK_HUMAN429 47% 0.32 PF00069 C1_S1532 - (42)20 44 / 209 / 157 269
85EPHA1_HUMAN485 62% 0.18 PF00018 C4_S1532 - (44)20 134 / 191 / 149 158
86YES_HUMAN454 90% 0.70 PF00018 C2_S1531 - (26)20 147 / 199 / 83 178
87KPCB_HUMAN420 95% 0.38 PF00069 C3_S1531 - (106)20 11 / 215 / 176 148
88PKN3_HUMAN386 67% 0.19 PF00069 C4_S1530 - (105)20 5 / 132 / 199 95
89ROS1_HUMAN473 100% 0.07 PF00018 C4_S1529 - (74)20 42 / 238 / 190 55
90FGR_HUMAN452 80% 0.53 PF00018 C1_S1528 - (22)20 147 / 205 / 80 184
91EPHA2_HUMAN479 100% 0.18 PF00018 C5_S1528 - (45)20 145 / 191 / 136 164
92CD11B_HUMAN477 45% 0.20 PF00069 C1_S1527 - (43)20 1 / 118 / 337 215
93CD11A_HUMAN476 45% 0.20 PF00069 C1_S1527 - (43)20 1 / 117 / 339 209
94MK12_HUMAN452 100% 0.55 PF00069 C1_S1526 - (39)20 87 / 204 / 141 141
95BRSK2_HUMAN420 99% 0.24 PF00069 C2_S1523 - (46)18 17 / 199 / 185 92
96PGFRB_HUMAN453 72% 0.16 PF00018 C8_S1523 - (44)20 8 / 46 / 337 68
97FYN_HUMAN452 85% 0.67 PF00018 C4_S1522 - (22)20 149 / 191 / 91 182
98MK08_HUMAN450 100% 0.39 PF00069 C1_S1522 - (31)20 85 / 221 / 127 278
99MK09_HUMAN444 98% 0.39 PF00069 C1_S1520 - (31)20 98 / 231 / 105 278
100EPHB4_HUMAN489 100% 0.18 PF00018 C2_S1519 - (45)20 139 / 199 / 138 155

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