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Target
Renin
Ligand
BDBM50042819
Substrate
n/a
Meas. Tech.
ChEMBL_196281 (CHEMBL806635)
IC50
0.280000±n/a nM
Citation
 Lunney, EA; Hamilton, HW; Hodges, JC; Kaltenbronn, JS; Repine, JT; Badasso, M; Cooper, JB; Dealwis, C; Wallace, BA; Lowther, WT Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J Med Chem 36:3809-20 (1994) [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:
BDBM50042819
Synonyms:
CHEMBL339340 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-malonamic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C31H50N4O9S
Mol. Mass.:
654.815
SMILES:
COC(=O)C(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C
Structure:
Search PDB for entries with ligand similarity: