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Target
Cytochrome P450 1B1
Ligand
BDBM50085541
Substrate
n/a
Meas. Tech.
ChEMBL_1684842 (CHEMBL4035321)
Ki
2060±n/a nM
Citation
 Dutour, R; Poirier, D Inhibitors of cytochrome P450 (CYP) 1B1. Eur J Med Chem 135:296-306 (2017) [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:
BDBM50085541
Synonyms:
(E)-3,5-dihydroxy-4'-methoxystilbene | 13E-3,5-dihydroxy-4'-methoxystilbene | 3,5-dihydroxy-4'-methoxystilbene | 5-(4-methoxystyryl)benzene-1,3-diol | 5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol | 5-[2-((E)-4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol | 5-[2-(4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol | CHEMBL291501 | E 5-[2-(4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol | trans-3,5-dihydroxy-4'-methoxystilbene
Type:
Small organic molecule
Emp. Form.:
C15H14O3
Mol. Mass.:
242.2699
SMILES:
COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Structure:
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