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Target
Cytochrome P450 1A2
Ligand
BDBM50405221
Substrate
n/a
Meas. Tech.
ChEMBL_2264880
IC50
2142±n/a nM
Citation
 Padmakar Darne, C; Velaparthi, U; Saulnier, M; Frennesson, D; Liu, P; Huang, A; Tokarski, J; Fura, A; Spires, T; Newitt, J; Spires, VM; Obermeier, MT; Elzinga, PA; Gottardis, MM; Jayaraman, L; Vite, GD; Balog, A The discovery of BMS-737 as a potent, CYP17 lyase-selective inhibitor for the treatment of castration-resistant prostate cancer. Bioorg Med Chem Lett 75:0 (2022) [PubMed] 
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50405221
Synonyms:
CHEMBL5284019
Type:
Small organic molecule
Emp. Form.:
C17H9F4N5
Mol. Mass.:
359.2805
SMILES:
Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncnc1C(F)(F)F
Structure:
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