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Target
Renin
Ligand
BDBM17983
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
20±n/a nM
Citation
 Powell, NA; Ciske, FL; Cai, C; Holsworth, DD; Mennen, K; Van Huis, CA; Jalaie, M; Day, J; Mastronardi, M; McConnell, P; Mochalkin, I; Zhang, E; Ryan, MJ; Bryant, J; Collard, W; Ferreira, S; Gu, C; Collins, R; Edmunds, JJ Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem 15:5912-49 (2007) [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:
BDBM17983
Synonyms:
1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethyl}acetamide | diaminopyrimidine renin inhibitor compound, 6
Type:
Small organic molecule
Emp. Form.:
C20H26N6O3
Mol. Mass.:
398.4588
SMILES:
CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1
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