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Target
Cytochrome P450 1A2
Ligand
BDBM50519918
Substrate
n/a
Meas. Tech.
ChEMBL_1878665 (CHEMBL4380059)
IC50
212±n/a nM
Citation
 Dong, J; Wang, Z; Cui, J; Meng, Q; Li, S Synthesis and structure-activity relationship studies of ?-naphthoflavone derivatives as CYP1B1 inhibitors. Eur J Med Chem 187:0 (2020) [PubMed]  Article 
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:
BDBM50519918
Synonyms:
CHEMBL4471231
Type:
Small organic molecule
Emp. Form.:
C19H11ClOS
Mol. Mass.:
322.808
SMILES:
Clc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2s1
Structure:
Search PDB for entries with ligand similarity: