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Target
Renin
Ligand
BDBM50285792
Substrate
n/a
Meas. Tech.
ChEBML_195935
IC50
0.300000±n/a nM
Citation
 Lefker, BA; Hada, WA; Wright, AS; Martin, WH; Stock, IA; Schulte, GK; Pandit, J; Danley, DE; Ammirati, MJ; Sneddon, SF Rational design, synthesis, and X-ray structure of renin inhibitors with extended P1 sidechains Bioorg Med Chem Lett 5:2623-2626 (1995)    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:
BDBM50285792
Synonyms:
4-Oxo-piperidine-1-carboxylic acid {(S)-1-[(R)-1-((1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-methylsulfanyl-ethylcarbamoyl]-2-phenyl-ethyl}-amide | CHEMBL89235
Type:
Small organic molecule
Emp. Form.:
C33H52N4O6S
Mol. Mass.:
632.854
SMILES:
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Structure:
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