Target
Cytochrome P450 1A2
Ligand
BDBM50088435
Substrate
n/a
Meas. Tech.
ChEMBL_1487340 (CHEMBL3535132)
Ki
4700±n/a nM
Citation
 Wattanachai, NTassaneeyakul, WRowland, AElliot, DJBowalgaha, KKnights, KMMiners, JO Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance. Drug Metab Dispos 40:982-9 (2012) [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:
BDBM50088435
Synonyms:
CHEMBL3274190
Type:
Small organic molecule
Emp. Form.:
C20H31NaO2
Mol. Mass.:
326.4487
SMILES:
[Na+].CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O
Structure:
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