Reaction Details Report a problem with these data
Target
Cytochrome P450 1A1
Ligand
BDBM50027788
Substrate
n/a
Meas. Tech.
ChEMBL_774160 (CHEMBL1908255)
Ki
8600±n/a nM
Citation
 Fontana, E; Dansette, PM; Poli, SM Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. Curr Drug Metab 6:413-54 (2005) [PubMed]  Article 
Target
Name:
Cytochrome P450 1A1
Synonyms:
CP1A1_RAT | Cyp1a-1 | Cyp1a1
Type:
PROTEIN
Mol. Mass.:
59401.56
Organism:
Rattus norvegicus
Description:
ChEMBL_774160
Residue:
524
Sequence:
MPSVYGFPAFTSATELLLAVTTFCLGFWVVRVTRTWVPKGLKSPPGPWGLPFIGHVLTLGKNPHLSLTKLSQQYGDVLQIRIGSTPVVVLSGLNTIKQALVKQGDDFKGRPDLYSFTLIANGQSMTFNPDSGPLWAARRRLAQNALKSFSIASDPTLASSCYLEEHVSKEAEYLISKFQKLMAEVGHFDPFKYLVVSVANVICAICFGRRYDHDDQELLSIVNLSNEFGEVTGSGYPADFIPILRYLPNSSLDAFKDLNKKFYSFMKKLIKEHYRTFEKGHIRDITDSLIEHCQDRRLDENANVQLSDDKVITIVFDLFGAGFDTITTAISWSLMYLVTNPRIQRKIQEELDTVIGRDRQPRLSDRPQLPYLEAFILETFRHSSFVPFTIPHSTIRDTSLNGFYIPKGHCVFVNQWQVNHDQELWGDPNEFRPERFLTSSGTLDKHLSEKVILFGLGKRKCIGETIGRLEVFLFLAILLQQMEFNVSPGEKVDMTPAYGLTLKHARCEHFQVQMRSSGPQHLQA
  
Inhibitor
Name:
BDBM50027788
Synonyms:
4-Ethynyl Acetanilide | CHEMBL1908220
Type:
Small organic molecule
Emp. Form.:
C10H9NO
Mol. Mass.:
159.1846
SMILES:
CC(=O)Nc1ccc(cc1)C#C
Structure:
Search PDB for entries with ligand similarity: