Target
Renin
Ligand
BDBM17941
Substrate
n/a
Meas. Tech.
ChEBML_195741
IC50
0.830000±n/a nM
Citation
 Patt, WCHamilton, HWTaylor, MDRyan, MJTaylor, DGConnolly, CJDoherty, AMKlutchko, SRSircar, ISteinbaugh, BA Structure-activity relationships of a series of 2-amino-4-thiazole-containing renin inhibitors. J Med Chem 35:2562-72 (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:
BDBM17941
Synonyms:
(2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpropane-2-)sulfonyl]propanamido]-3-(1H-imidazol-4-yl)propanamido]-N-butyl-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanamide | CGP 38560
Type:
Small organic molecule
Emp. Form.:
C39H63N5O6S
Mol. Mass.:
730.012
SMILES:
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: