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Target
Cytochrome P450 1A2
Ligand
BDBM50553246
Substrate
n/a
Meas. Tech.
ChEMBL_2045770 (CHEMBL4700469)
IC50
>30000±n/a nM
Citation
 Kirk, R; Ratcliffe, A; Noonan, G; Uosis-Martin, M; Lyth, D; Bardell-Cox, O; Massam, J; Schofield, P; Hindley, S; Jones, DR; Maclean, J; Smith, A; Savage, V; Mohmed, S; Charrier, C; Salisbury, AM; Moyo, E; Metzger, R; Chalam-Judge, N; Cheung, J; Stokes, NR; Best, S; Craighead, M; Armer, R; Huxley, A Rational design, synthesis and testing of novel tricyclic topoisomerase inhibitors for the treatment of bacterial infections part 1. RSC Med Chem 11:1366-1378 (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:
BDBM50553246
Synonyms:
CHEMBL4747990
Type:
Small organic molecule
Emp. Form.:
C20H15F2N3O2
Mol. Mass.:
367.3488
SMILES:
Cc1c(ccc2c3ocnc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F
Structure:
Search PDB for entries with ligand similarity: