Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50280224
Substrate
n/a
Meas. Tech.
ChEMBL_195923 (CHEMBL803392)
pH
6±n/a
IC50
0.630000±n/a nM
Comments
extracted
Citation
 Baker, WR; Jae, HS; Martin, SR; Condon, SL; Stein, HH; Cohen, J; Kleinert, HD Conformationally restricted peptide isosteres. 2.1 Synthesis and in vitro potency of dipeptide renin inhibitors employing a 2-alkylsulfonyl-3-phenylcyclopropane carboxamide as a P3 amino acid replacement Bioorg Med Chem Lett 2:1405-1410 (1992)    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:
BDBM50280224
Synonyms:
(1S,2R,3S)-2-Methanesulfonyl-3-phenyl-cyclopropanecarboxylic acid [(S)-1-((1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-amide | CHEMBL30375
Type:
Small organic molecule
Emp. Form.:
C31H45N3O6S2
Mol. Mass.:
619.836
SMILES:
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H]1[C@H]([C@H]1S(C)(=O)=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: