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Target
Cytochrome P450 1B1
Ligand
BDBM50618201
Substrate
n/a
Meas. Tech.
ChEMBL_2315757
IC50
0.310000±n/a nM
Citation
 Hachey, AC; Fenton, AD; Heidary, DK; Glazer, EC Design of Cytochrome P450 1B1 Inhibitors  J Med Chem 66:398-412 (2023) [PubMed] 
Target
Name:
Cytochrome P450 1B1
Synonyms:
Cytochrome P450 1B1 (CYP1B1) | CYPIB1 | CP1B1_HUMAN | CYP1B1
Type:
PROTEIN
Mol. Mass.:
60861.81
Organism:
Human
Description:
ChEMBL_1474523
Residue:
543
Sequence:
MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLIGNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAFASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVALLVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSLVDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSAEKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAELDQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVVFVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQLFLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKETCQ
  
Inhibitor
Name:
BDBM50618201
Synonyms:
CHEMBL5403545
Type:
Small organic molecule
Emp. Form.:
C15H15NO2
Mol. Mass.:
241.29
SMILES:
COc1ccc(\C=C\c2ccncc2)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: