Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50009891
Substrate
n/a
Meas. Tech.
ChEMBL_195954 (CHEMBL806849)
IC50
45±n/a nM
Citation
 Doherty, AM; Kaltenbronn, JS; Hudspeth, JP; Repine, JT; Roark, WH; Sircar, I; Tinney, FJ; Connolly, CJ; Hodges, JC; Taylor, MD New inhibitors of human renin that contain novel replacements at the P2 site. J Med Chem 34:1258-71 (1991) [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:
BDBM50009891
Synonyms:
1N-[4-[2-(2-aminoethyl)-1,4-oxazinan-4-yl]-2-hydroxy-1-isobutyl-4-oxo-(1R,2S)-butyl]-6-amino(nitro)(imino)methylamino-2-[2-(1-naphthyl)-1-(1-naphthylmethyl)ethylcarboxamido]hexanamide | CHEMBL282899
Type:
Small organic molecule
Emp. Form.:
C45H60N8O7
Mol. Mass.:
825.0073
SMILES:
CC(C)CC(NC(=O)C(CCCCNC(=N)N[N+]([O-])=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Structure:
Search PDB for entries with ligand similarity: