Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50022883
Substrate
n/a
Meas. Tech.
ChEBML_195945
pH
6±n/a
IC50
4±n/a nM
Comments
extracted
Citation
 Luly, JR; Bolis, G; BaMaung, N; Soderquist, J; Dellaria, JF; Stein, H; Cohen, J; Perun, TJ; Greer, J; Plattner, JJ New inhibitors of human renin that contain novel Leu-Val replacements. Examination of the P1 site. J Med Chem 31:532-9 (1988) [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:
BDBM50022883
Synonyms:
1N-[1-[1-cyclohexylmethyl-2-hydroxy-3-isopropylsulfanyl-(1S,2R)-propylcarbamoyl]-2-(1H-5-imidazolyl)-(1S)-ethyl]-2-aminotertiarybutyloxycarbonyl-3-phenyl-(2S)-propanamide | CHEMBL357302
Type:
Small organic molecule
Emp. Form.:
C33H51N5O5S
Mol. Mass.:
629.854
SMILES:
CC(C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: