Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50285796
Substrate
n/a
Meas. Tech.
ChEBML_195935
IC50
130±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:
BDBM50285796
Synonyms:
4-Oxo-piperidine-1-carboxylic acid {[(R)-1-((1S,2R,3S)-1-biphenyl-4-ylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-methylsulfanyl-ethylcarbamoyl]-methyl}-amide | CHEMBL327616
Type:
Small organic molecule
Emp. Form.:
C32H44N4O6S
Mol. Mass.:
612.78
SMILES:
CSC[C@H](NC(=O)CNC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)[C@@H](O)[C@@H](O)CC(C)C
Structure:
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