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Target
Renin
Ligand
BDBM18023
Substrate
Green Flourescent Protein (tGFP)
Meas. Tech.
In Vitro Renin IC50 Determinations (Tandem GFP FRET Assay)
pH
7.4±n/a
Temperature
295.15±n/a K
IC50
606±n/a nM
Citation
 Holsworth, DD; Cai, C; Cheng, XM; Cody, WL; Downing, DM; Erasga, N; Lee, C; Powell, NA; Edmunds, JJ; Stier, M; Jalaie, M; Zhang, E; McConnell, P; Ryan, MJ; Bryant, J; Li, T; Kasani, A; Hall, E; Subedi, R; Rahim, M; Maiti, S Ketopiperazine-based renin inhibitors: optimization of the "C" ring. Bioorg Med Chem Lett 16:2500-4 (2006) [PubMed]  Article 
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_HUMAN
Type:
Enzyme
Mol. Mass.:
45058.99
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
  
Inhibitor
Name:
BDBM18023
Synonyms:
(6R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)-6-[({1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinolin-7-yl}oxy)methyl]piperazin-2-one | Ketopiperazine-based inhibitor, 3
Type:
Small organic molecule
Emp. Form.:
C37H46N4O6
Mol. Mass.:
642.7843
SMILES:
COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCN4CCCC4=O)c3c2)CNCC1=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Green Flourescent Protein (tGFP)
Synonyms:
n/a
Type:
Other Protein Type
Mol. Mass.:
358.43
Organism:
n/a
Description:
The tGFP substrate contained a nine amino acid (Ile-His-Pro-Phe-His-Leu-Val-Ile-His) recognition sequence for human renin flanked by two GPF proteins (W1B and Topaz).
Residue:
3
Sequence:
NA