Target
Renin
Ligand
BDBM50008157
Substrate
n/a
Meas. Tech.
ChEBML_192731
IC50
1.5±n/a nM
Citation
 Doherty, AMSircar, IKornberg, BEQuin, JWinters, RTKaltenbronn, JSTaylor, MDBatley, BLRapundalo, SRRyan, MJ Design and synthesis of potent, selective, and orally active fluorine-containing renin inhibitors. J Med Chem 35:2-14 (1992) [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:
BDBM50008157
Synonyms:
4-(1-{1-[1-Cyclohexylmethyl-3,3-difluoro-2-hydroxy-3-(2-methyl-butylcarbamoyl)-propylcarbamoyl]-but-3-enylcarbamoyl}-2-phenyl-ethylsulfamoyl)-piperazine-1-carboxylic acid tert-butyl ester | CHEMBL32239
Type:
Small organic molecule
Emp. Form.:
C39H62F2N6O8S
Mol. Mass.:
813.007
SMILES:
CC[C@H](C)CNC(=O)C(F)(F)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: