Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 4
Ligand
BDBM556338
Substrate
n/a
Meas. Tech.
CDK4 Inhibition Assay
IC50
9.46±n/a nM
Citation
 Song, Y; Chen, X Substituted pyrimidines as CDK4/6 inhibitors US Patent  US11351170 Publication Date 6/7/2022 
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:
BDBM556338
Synonyms:
N-(5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)pyrimidin-2-amine (Compound 105) | US11351170, Example 16
Type:
Small organic molecule
Emp. Form.:
C26H28F2N8
Mol. Mass.:
490.5509
SMILES:
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nn5CCCc5c4c3)nc2)CC1
Structure:
Search PDB for entries with ligand similarity: