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Target
Cytochrome P450 1B1
Ligand
BDBM50108048
Substrate
n/a
Meas. Tech.
ChEMBL_51379 (CHEMBL663710)
IC50
2±n/a nM
Citation
 Kim, S; Ko, H; Park, JE; Jung, S; Lee, SK; Chun, YJ Design, synthesis, and discovery of novel trans-stilbene analogues as potent and selective human cytochrome P450 1B1 inhibitors. J Med Chem 45:160-4 (2001) [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:
BDBM50108048
Synonyms:
(E)-2-(3,5-dimethoxystyryl)thiophene | 2-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-thiophene | 2-[2-(3,5-Dimethoxy-phenyl)-vinyl]-thiophene | CHEMBL42428
Type:
Small organic molecule
Emp. Form.:
C14H14O2S
Mol. Mass.:
246.325
SMILES:
COc1cc(OC)cc(\C=C\c2cccs2)c1
Structure:
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