Target
NADPH--cytochrome P450 reductase
Ligand
BDBM50236855
Substrate
n/a
Meas. Tech.
ChEMBL_1659516 (CHEMBL4009128)
IC50
35000±n/a nM
Citation
 Bian, JLi, XWang, NWu, XYou, QZhang, X Discovery of quinone-directed antitumor agents selectively bioactivated by NQO1 over CPR with improved safety profile. Eur J Med Chem 129:27-40 (2017) [PubMed]  Article 
Target
Name:
NADPH--cytochrome P450 reductase
Synonyms:
CYPOR | Cytochrome P450 Reductase (CPR) | NADPH--cytochrome P450 reductase | NCPR_HUMAN | P450R | POR
Type:
Enzyme
Mol. Mass.:
76675.22
Organism:
Homo sapiens (Human)
Description:
P16435
Residue:
677
Sequence:
MGDSHVDTSSTVSEAVAEEVSLFSMTDMILFSLIVGLLTYWFLFRKKKEEVPEFTKIQTLTSSVRESSFVEKMKKTGRNIIVFYGSQTGTAEEFANRLSKDAHRYGMRGMSADPEEYDLADLSSLPEIDNALVVFCMATYGEGDPTDNAQDFYDWLQETDVDLSGVKFAVFGLGNKTYEHFNAMGKYVDKRLEQLGAQRIFELGLGDDDGNLEEDFITWREQFWPAVCEHFGVEATGEESSIRQYELVVHTDIDAAKVYMGEMGRLKSYENQKPPFDAKNPFLAAVTTNRKLNQGTERHLMHLELDISDSKIRYESGDHVAVYPANDSALVNQLGKILGADLDVVMSLNNLDEESNKKHPFPCPTSYRTALTYYLDITNPPRTNVLYELAQYASEPSEQELLRKMASSSGEGKELYLSWVVEARRHILAILQDCPSLRPPIDHLCELLPRLQARYYSIASSSKVHPNSVHICAVVVEYETKAGRINKGVATNWLRAKEPAGENGGRALVPMFVRKSQFRLPFKATTPVIMVGPGTGVAPFIGFIQERAWLRQQGKEVGETLLYYGCRRSDEDYLYREELAQFHRDGALTQLNVAFSREQSHKVYVQHLLKQDREHLWKLIEGGAHIYVCGDARNMARDVQNTFYDIVAELGAMEHAQAVDYIKKLMTKGRYSLDVWS
  
Inhibitor
Name:
BDBM50236855
Synonyms:
CHEMBL4102425
Type:
Small organic molecule
Emp. Form.:
C15H12O3
Mol. Mass.:
240.254
SMILES:
Cc1coc-2c1C(=O)C(=O)c1cc(C)c(C)cc-21
Structure:
Search PDB for entries with ligand similarity: