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Target
NADPH--cytochrome P450 reductase
Ligand
BDBM81348
Substrate
n/a
Meas. Tech.
ChEMBL_1659516 (CHEMBL4009128)
IC50
11000±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:
BDBM81348
Synonyms:
β-Lapachone (A3) | Beta lapachone | R115 (Reactive Blue 2) | beta-Lapachone
Type:
Small organic molecule
Emp. Form.:
C15H14O3
Mol. Mass.:
242.2699
SMILES:
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5|
Structure:
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