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Target
Cytochrome P450 1A2
Ligand
BDBM50236897
Substrate
n/a
Meas. Tech.
ChEMBL_1914331 (CHEMBL4416914)
IC50
5700±n/a nM
Citation
 Adebesin, AM; Wesser, T; Vijaykumar, J; Konkel, A; Paudyal, MP; Lossie, J; Zhu, C; Westphal, C; Puli, N; Fischer, R; Schunck, WH; Falck, JR Development of Robust 17( J Med Chem 62:10124-10143 (2019) [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:
BDBM50236897
Synonyms:
3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione | CHEMBL405845 | US9180183, Furafylline | furafylline
Type:
Small organic molecule
Emp. Form.:
C12H12N4O3
Mol. Mass.:
260.2487
SMILES:
Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1
Structure:
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