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Target
NADPH--cytochrome P450 reductase
Ligand
BDBM50236861
Substrate
n/a
Meas. Tech.
ChEMBL_1659516 (CHEMBL4009128)
IC50
30000±n/a nM
Citation
 Bian, J; Li, X; Wang, N; Wu, X; You, Q; Zhang, 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:
BDBM50236861
Synonyms:
CHEMBL3398292
Type:
Small organic molecule
Emp. Form.:
C16H16O4
Mol. Mass.:
272.2958
SMILES:
COc1ccc2C3=C(C(=O)C(=O)c2c1)C(C)(C)C(C)O3 |c:6|
Structure:
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