Reaction Details  Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50609920
Substrate
n/a
Meas. Tech.
ChEMBL_2280045
IC50
119±n/a nM
Citation
 Mao, J; Wang, D; Xu, P; Wang, Y; Zhang, H; Wang, S; Xu, F; Wang, J; Zhang, F Structure-Based Drug Design and Synthesis of Novel  J Med Chem 65:16451-16480 (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:
BDBM50609920
Synonyms:
CHEMBL5289447
Type:
Small organic molecule
Emp. Form.:
C12H8ClN3S2
Mol. Mass.:
293.795
SMILES:
Clc1ccc(Nc2nc(cs2)-c2nccs2)cc1
Structure:
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