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Target
Cytochrome P450 1B1
Ligand
BDBM50081709
Substrate
n/a
Meas. Tech.
ChEMBL_1931141 (CHEMBL4434392)
IC50
0.200000±n/a nM
Citation
 Zhao, L; Sun, N; Tian, L; Zhao, S; Sun, B; Sun, Y; Zhao, D Strategies for the development of highly selective cytochrome P450 inhibitors: Several CYP targets in current research. Bioorg Med Chem Lett 29:2016-2024 (2019) [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:
BDBM50081709
Synonyms:
CHEMBL3422257
Type:
Small organic molecule
Emp. Form.:
C22H18O5
Mol. Mass.:
362.3753
SMILES:
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccccc1
Structure:
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