Reaction Details Report a problem with these data
Target
Cytochrome P450 1B1
Ligand
BDBM50134461
Substrate
n/a
Meas. Tech.
ChEMBL_748493 (CHEMBL1780346)
Ki
670±n/a nM
Citation
 Androutsopoulos, VP; Papakyriakou, A; Vourloumis, D; Spandidos, DA Comparative CYP1A1 and CYP1B1 substrate and inhibitor profile of dietary flavonoids. Bioorg Med Chem 19:2842-9 (2011) [PubMed]  Article 
Target
Name:
Cytochrome P450 1B1
Synonyms:
CP1B1_HUMAN | CYP1B1 | CYPIB1 | Cytochrome P450 1B1 (CYP1B1)
Type:
PROTEIN
Mol. Mass.:
60861.81
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1474523
Residue:
543
Sequence:
MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLIGNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAFASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVALLVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSLVDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSAEKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAELDQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVVFVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQLFLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKETCQ
  
Inhibitor
Name:
BDBM50134461
Synonyms:
2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-chromen-4-one | CHEMBL124885 | eupatorin-5-methylether
Type:
Small organic molecule
Emp. Form.:
C19H18O7
Mol. Mass.:
358.342
SMILES:
COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Structure:
Search PDB for entries with ligand similarity: