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Target
Cytochrome P450 1A2
Ligand
BDBM50014323
Substrate
n/a
Meas. Tech.
ChEMBL_2222744 (CHEMBL5136078)
IC50
8.3±n/a nM
Citation
 Jin, X; Zhao, LM; Wang, S; Huang, WJ; Zhang, YX; Pannecouque, C; De Clercq, E; Chen, FE Structure-Based Discovery of Novel NH J Med Chem 65:8478-8492 (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:
Human
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50014323
Synonyms:
2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo[h]chromen-4-one | 7,8-Benzoflavone | CHEMBL283196 | US11938127, Compound a-naphthoflavone | alpha-naphthoflavone
Type:
Small organic molecule
Emp. Form.:
C19H12O2
Mol. Mass.:
272.2974
SMILES:
O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Structure:
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