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Target
Renin
Ligand
BDBM17980
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
95±n/a nM
Citation
 Sarver, RW; Peevers, J; Cody, WL; Ciske, FL; Dyer, J; Emerson, SD; Hagadorn, JC; Holsworth, DD; Jalaie, M; Kaufman, M; Mastronardi, M; McConnell, P; Powell, NA; Quin, J; Van Huis, CA; Zhang, E; Mochalkin, I Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Anal Biochem 360:30-40 (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:
BDBM17980
Synonyms:
1,4-benzoxazin-3-one, 17 | 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one | diaminopyrimidine renin inhibitor compound, 8
Type:
Small organic molecule
Emp. Form.:
C24H25F2N5O3
Mol. Mass.:
469.4838
SMILES:
CCc1nc(N)nc(N)c1-c1ccc2OC(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1
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