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Target
Cyclin-dependent kinase 4
Ligand
BDBM47154
Substrate
n/a
Meas. Tech.
Biological Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
<5±n/a nM
Comments
extracted
Citation
 Brain, CT; Cho, YS; Giraldes, JW; Lagu, B; Levell, JR; Luzzio, MJ; Perez, LB; Wang, Y; Yang, F Pyrrolopyrimidine compounds as inhibitors of CDK4/6 US Patent  US8957074 Publication Date 2/17/2015 
Target
Name:
Cyclin-dependent kinase 4
Synonyms:
CDK4 | CDK4_HUMAN | Cell division protein kinase 4 | Cyclin-dependent kinase 4 (CDK 4) | PSK-J3
Type:
Enzyme Subunit
Mol. Mass.:
33731.96
Organism:
Homo sapiens (Human)
Description:
P11802
Residue:
303
Sequence:
MATSRYEPVAEIGVGAYGTVYKARDPHSGHFVALKSVRVPNGGGGGGGLPISTVREVALLRRLEAFEHPNVVRLMDVCATSRTDREIKVTLVFEHVDQDLRTYLDKAPPPGLPAETIKDLMRQFLRGLDFLHANCIVHRDLKPENILVTSGGTVKLADFGLARIYSYQMALTPVVVTLWYRAPEVLLQSTYATPVDMWSVGCIFAEMFRRKPLFCGNSEADQLGKIFDLIGLPPEDDWPRDVSLPRGAFPPRGPRPVQSVVPEMEESGAQLLLEMLTFNPHKRISAFRALQHSYLHKDEGNPE
  
Inhibitor
Name:
BDBM47154
Synonyms:
US8957074, 81
Type:
n/a
Emp. Form.:
C31H42N8O2
Mol. Mass.:
558.7176
SMILES:
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(9.45,-14.09,;8.68,-12.75,;10.22,-12.75,;7.91,-11.42,;8.68,-10.09,;6.37,-11.42,;5.46,-10.17,;4,-10.65,;2.67,-9.88,;1.33,-10.65,;1.33,-12.19,;-0,-12.96,;-0,-14.5,;1.33,-15.27,;1.33,-16.81,;-0,-17.58,;-1.34,-16.81,;-1.34,-15.27,;-0,-19.12,;-1.34,-19.89,;1.33,-19.89,;2.67,-19.12,;4,-19.89,;2.81,-20.08,;2.14,-21.01,;2.67,-22.2,;1.33,-21.43,;4,-21.43,;2.67,-12.96,;4,-12.19,;5.46,-12.67,;6.05,-13.75,;7.59,-13.75,;8.36,-15.08,;7.59,-16.42,;6.05,-16.42,;5.28,-15.08,;8.36,-17.75,;9.13,-19.08,;9.9,-17.75,;7.96,-19.24,)|
Structure:
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