Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50028091
Substrate
n/a
Meas. Tech.
ChEMBL_774164 (CHEMBL1908259)
Ki
57400±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 1A2
Synonyms:
CP1A2_RAT | CYPIA2 | Cyp1a-2 | Cyp1a2 | Cytochrome P-448 | Cytochrome P-450d | Cytochrome P450-D
Type:
PROTEIN
Mol. Mass.:
58273.18
Organism:
Rattus norvegicus
Description:
ChEMBL_1487340
Residue:
513
Sequence:
MAFSQYISLAPELLLATAIFCLVFWVLRGTRTQVPKGLKSPPGPWGLPFIGHMLTLGKNPHLSLTKLSQQYGDVLQIRIGSTPVVVLSGLNTIKQALVKQGDDFKGRPDLYSFTLITNGKSMTFNPDSGPVWAARRRLAQDALKSFSIASDPTSVSSCYLEEHVSKEANHLISKFQKLMAEVGHFEPVNQVVESVANVIGAMCFGKNFPRKSEEMLNLVKSSKDFVENVTSGNAVDFFPVLRYLPNPALKRFKNFNDNFVLFLQKTVQEHYQDFNKNSIQDITGALFKHSENYKDNGGLIPQEKIVNIVNDIFGAGFETVTTAIFWSILLLVTEPKVQRKIHEELDTVIGRDRQPRLSDRPQLPYLEAFILEIYRYTSFVPFTIPHSTTRDTSLNGFHIPKECCIFINQWQVNHDEKQWKDPFVFRPERFLTNDNTAIDKTLSEKVMLFGLGKRRCIGEIPAKWEVFLFLAILLHQLEFTVPPGVKVDLTPSYGLTMKPRTCEHVQAWPRFSK
  
Inhibitor
Name:
BDBM50028091
Synonyms:
(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime | CHEMBL814 | FLUVOXAMINE
Type:
Small organic molecule
Emp. Form.:
C15H21F3N2O2
Mol. Mass.:
318.3346
SMILES:
COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
Structure:
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