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Target
Cytochrome P450 1A2
Ligand
BDBM50167926
Substrate
n/a
Meas. Tech.
ChEMBL_1574299 (CHEMBL3802684)
IC50
<50119±n/a nM
Citation
 Cheruvallath, Z; Tang, M; McBride, C; Komandla, M; Miura, J; Ton-Nu, T; Erikson, P; Feng, J; Farrell, P; Lawson, JD; Vanderpool, D; Wu, Y; Dougan, DR; Plonowski, A; Holub, C; Larson, C Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1. Bioorg Med Chem Lett 26:2774-2778 (2016) [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:
BDBM50167926
Synonyms:
CHEMBL3798871
Type:
Small organic molecule
Emp. Form.:
C17H13F4N3O2
Mol. Mass.:
367.2976
SMILES:
OCCNC(=O)c1ccc(c(F)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Structure:
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