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Target
Renin
Ligand
BDBM17958
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
2600±n/a nM
Citation
 Cody, WL; Holsworth, DD; Powell, NA; Jalaie, M; Zhang, E; Wang, W; Samas, B; Bryant, J; Ostroski, R; Ryan, MJ; Edmunds, JJ The discovery and preparation of disubstituted novel amino-aryl-piperidine-based renin inhibitors. Bioorg Med Chem 13:59-68 (2005) [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:
BDBM17958
Synonyms:
6-({[(3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)piperidin-3-yl]amino}methyl)naphthalene-1-carboxylic acid | amino-aryl-piperidine-based compound, 23 | mixture of cis isomers
Type:
Small organic molecule
Emp. Form.:
C34H38N2O5
Mol. Mass.:
554.6759
SMILES:
COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2c(cccc2c1)C(O)=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