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Target
Cytochrome P450 1A2
Ligand
BDBM50519636
Substrate
n/a
Meas. Tech.
ChEMBL_1877256 (CHEMBL4378650)
IC50
5400±n/a nM
Citation
 Chatzopoulou, M; Claridge, TDW; Davies, KE; Davies, SG; Elsey, DJ; Emer, E; Fletcher, AM; Harriman, S; Robinson, N; Rowley, JA; Russell, AJ; Tinsley, JM; Weaver, R; Wilkinson, IVL; Willis, NJ; Wilson, FX; Wynne, GM Isolation, Structural Identification, Synthesis, and Pharmacological Profiling of 1,2- J Med Chem 63:2547-2556 (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:
BDBM50519636
Synonyms:
BMN 195 | BMN-195 | Ezutromid | SMT-C1100 | SMTC-1100 | Smt c1100
Type:
Small organic molecule
Emp. Form.:
C19H15NO3S
Mol. Mass.:
337.392
SMILES:
CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Structure:
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