CRYSTAL STRUCTURE OF ABL KINASE DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
PDB id Source Resolution
1FPU MUS MUSCULUS 2.4 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
PRC Valid Ki =  37.0 nM   launch gocavviewer-lite   382.418
C22 H18 N6 O
 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4

STRUCTURAL MECHANISM FOR STI-571 INHIBITION OF ABELSON TYROSINE KINASE. SCIENCE V. 289 1938 2000

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90% Homology Family

The Class containing this family consists of a total of 22 families.
Leader:    3KF4
STRUCTURAL ANALYSIS OF DFG-IN AND DFG-OUT DUAL
SRC-ABL INHIB SHARING A COMMON VINYL PURINE TEMPLATE
PDB id Binding data Representative ligand
3KF4 ic50 < 0.5 nM B90
1FPU Ki = 37.0 nM PRC
1IEP ic50 = 100.0 nM STI
1OPJ   MYR
2E2B ic50 = 11.0 nM 406
2F4J   VX6
2G2H Ki ~ 1.0 uM P16
2GQG   1N1
2HIW ic50 = 8.0 nM 7MP
2HYY ic50 = 170.0 nM STI
2HZ0 ic50 = 330.0 nM GIN
2HZI ic50 = 70.0 nM JIN
2QOH   P3Y
2V7A Kd = 0.0050 uM 627
2Z60   P3Y
3CS9 ic50 < 33.0 uM NIL
3IK3 ic50 = 2.0 nM 0LI
3K5V   STI
3KFA ic50 = 25.0 nM B91
3MS9   STI
3MSS   STI
3OXZ ic50 = 8.6 nM 0LI
3OY3 ic50 = 35.8 nM XY3
3PYY   STI
3QRI ic50 = 0.8 nM 919
3QRJ ic50 = 4.0 nM 919
3QRK ic50 = 57.0 nM 9DP