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Target
Cytochrome P450 1B1
Ligand
BDBM50609976
Substrate
n/a
Meas. Tech.
ChEMBL_2280043
IC50
6.6±n/a nM
Citation
 Mao, J; Wang, D; Xu, P; Wang, Y; Zhang, H; Wang, S; Xu, F; Wang, J; Zhang, F Structure-Based Drug Design and Synthesis of Novel  J Med Chem 65:16451-16480 (2022) [PubMed]
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:
BDBM50609976
Synonyms:
CHEMBL5282966
Type:
Small organic molecule
Emp. Form.:
C18H10Cl3N3S2
Mol. Mass.:
438.781
SMILES:
Clc1cc(Cl)cc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2Cl)c1
Structure:
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