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Target
Cytochrome P450 1A2
Ligand
BDBM50577263
Substrate
n/a
Meas. Tech.
ChEMBL_2129919 (CHEMBL4839348)
EC50
1900±n/a nM
Citation
 Spock, M; Carter, TR; Bollinger, KA; Han, C; Baker, LA; Rodriguez, AL; Peng, L; Dickerson, JW; Qi, A; Rook, JM; O'Neill, JC; Watson, KJ; Chang, S; Bridges, TM; Engers, JL; Engers, DW; Niswender, CM; Conn, PJ; Lindsley, CW; Bender, AM Discovery of VU6028418: A Highly Selective and Orally Bioavailable M ACS Med Chem Lett 12:1342-1349 (2021) [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:
BDBM50577263
Synonyms:
CHEMBL4850236
Type:
Small organic molecule
Emp. Form.:
C23H27F3N4O
Mol. Mass.:
432.4819
SMILES:
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
Structure:
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