Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 1B1
LigandBDBM50081717
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1474526 (CHEMBL3423815)
IC50 0.200000±n/a nM
Citation Cui, JMeng, QZhang, XCui, QZhou, WLi, S Design and Synthesis of Newa-Naphthoflavones as Cytochrome P450 (CYP) 1B1 Inhibitors To Overcome Docetaxel-Resistance Associated with CYP1B1 Overexpression. J Med Chem58:3534-47 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1B1
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:
MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLI
GNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAF
ASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVAL
LVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSL
VDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSA
EKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAEL
DQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVV
FVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQL
FLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKE
TCQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50081717
n/a
NameBDBM50081717
Synonyms:CHEMBL3422338
TypeSmall organic molecule
Emp. Form.C22H17ClO5
Mol. Mass.396.82
SMILESCOc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(Cl)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: