STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125
PDB id Source Resolution
2WIH 2.5 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
P48 Valid ic50 =  0.045 uM   launch gocavviewer-lite   460.575
C25 H32 N8 O
 CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C
SO4 Invalid            

IDENTIFICATION OF N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE (PHA-848125), A POTENT, ORALLY AVAILABLE CYCLIN DEPENDENT KINASE INHIBITOR. J.MED.CHEM. V. 52

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90% Homology Family

The Class containing this family consists of a total of 5 families.
Leader:    2BPM
STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529
PDB id Binding data Representative ligand
2BPM ic50 = 2.0 nM 529
1E9H ic50 = 35.0 nM INR
1FIN   ATP
1H1P Ki = 12.0 uM CMG
1H1Q ic50 = 1.0 uM 2A6
1H1R ic50 = 2.3 uM 6CP
1H1S Ki = 6.0 nM 4SP
1H24 Kd = 0.5 uM PRO-VAL-LYS-ARG-ARG-LEU-ASP-LEU-GLU
1OI9 ic50 = 69.0 nM N20
1OIU ic50 = 0.21 uM N76
1OIY ic50 ~ 64.0 nM N41
1OKV ic50 = 0.68 uM ARG-ARG-LEU-ILE-PHE-NH2
1OKW ic50 = 5.6 uM ACE-ARG-ARG-LEU-ASN-FCL-NH2
1P5E   TBS
1PKD   UCN
1QMZ   HIS-HIS-ALA-SER-PRO-ARG-LYS
1VYW ic50 = 37.0 nM 292
2C5N ic50 = 0.22 uM CK8
2C5O ic50 = 6.5 uM CK2
2CJM   ATP
2G9X ic50 = 45.0 nM NU5
2IW6 ic50 = 0.14 uM QQ2
2IW8 ic50 = 103.0 nM 4SP
2IW9 ic50 = 8.9 nM 4SP
2UUE ic50 = 1.3 uM ARG-LEU-ILE-PFF-NH2-GVC
2UZE ic50 = 48.0 uM C95
2UZL ic50 = 0.61 uM C94
2WEV ic50 = 30.0 uM ACE-ARG-ARG-B3L-MEA-NH2
2WIH ic50 = 0.045 uM P48
3BHT ic50 = 0.011 uM MFR
3BHU ic50 = 0.0030 uM MHR
3BHV ic50 = 0.08 uM VAR
3DDQ ic50 ~ 28.0 uM RRC
3F5X ic50 = 1040.0 nM EZV
3MY5 ic50 = 65.0 uM RFZ
3QHR   ADP
3QHW   ADP