Receptor
PDB id Resolution Class Description Source Keywords
1iep 2.1 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF THE C-ABL KINASE DOMAIN IN COMPLEX WITH STI-571. MUS MUSCULUS KINASE KINASE INHIBITOR STI-571 ACTIVATION LOOP TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF THE KINASE DOMAIN OF C-ABL IN COMPLEX WITH THE SMALL MOLECULE INHIBITORS PD173955 AND IMATINIB (STI-571) CANCER RES. V. 62 4236 2002
Ligand Information
Ligand Validity Binding Data Ligand Warnings Chemaxon Viewer Molecular Weight (Da) Formula SMILES
STI Valid ic50 = 100 nM none 493.603
C29 H31 N7 O
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CL Invalid - none 35.453
Cl
[Cl-]
90% Homology Family

The Class containing this family consists of a total of 28 families.

Leader:    3KF4     STRUCTURAL ANALYSIS OF DFG-IN AND DFG-OUT DUAL SRC-ABL INHIB SHARING A COMMON VINYL PURINE TEMPLATE
No: PDB id Binding Data Representative ligand
1 3IK3 ic50 = 2 nM 0LI
2 3QRJ ic50 = 4 nM 919
3 3UE4 - DB8
4 3OY3 ic50 = 35.8 nM XY3
5 2E2B ic50 = 11 nM 406
6 2V7A Kd = 0.005 uM 627
7 2G2H Ki ~ 1 uM P16
8 3QRI ic50 = 0.8 nM 919
9 1FPU Ki = 37 nM PRC
10 3PYY - 3YY
11 1OPJ - STI
12 3CS9 ic50 < 33 uM NIL
13 3MSS - MS7
14 3OXZ ic50 = 8.6 nM 0LI
15 3KFA ic50 = 25 nM B91
16 3MS9 - MS9
17 2GQG - 1N1
18 2QOH - P3Y
19 2HYY ic50 = 170 nM STI
20 2HZI ic50 = 70 nM JIN
21 3KF4 ic50 < 0.5 nM B90
22 3K5V - STJ
23 2HZ0 ic50 = 330 nM GIN
24 1IEP ic50 = 100 nM STI
25 2F4J - VX6
26 3QRK ic50 = 57 nM 9DP
27 2HIW ic50 = 8 nM 7MP
28 2Z60 - P3Y
More Information
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