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TargetCytochrome P450 1B1
LigandBDBM50236897
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1508788
Ki>200000±n/a nM
Citation Liu JPham PTSkripnikova EVZheng SLovings LJWang YGoyal NBellow SMMensah LMChatters AJBratton MRWiese TEZhao MWang GForoozesh M A Ligand-Based Drug Design. Discovery of 4-Trifluoromethyl-7,8-pyranocoumarin as a Selective Inhibitor of Human Cytochrome P450 1A2. J Med Chem 58:6481-93 (2015) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1B1
Name:Cytochrome P450 1B1
Synonyms: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
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  Blast E-value cutoff:
BDBM50236897
n/a
NameBDBM50236897
Synonyms:3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione | CHEMBL405845 | US9180183, Furafylline | furafylline
TypeSmall organic molecule
Emp. Form.C12H12N4O3
Mol. Mass.260.2487
SMILESCc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1
Structure
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