Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50045292
Substrate
n/a
Meas. Tech.
ChEBML_192722
IC50
0.160000±n/a nM
Citation
 Steinbaugh, BA; Hamilton, HW; Patt, WC; Rapundalo, ST; Batley, BL; Lunney, EA; Ryan, MJ; Hicks, GW Tetrahydroisoquinoline as a phenylalanine replacement in renin inhibitors Bioorg Med Chem Lett 4:2029-2034 (1994)    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:
BDBM50045292
Synonyms:
(S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-pent-4-enoic acid ((1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-amide | 2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-pent-4-enoic acid (1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-amide | CHEMBL62380
Type:
Small organic molecule
Emp. Form.:
C32H52N4O7S
Mol. Mass.:
636.843
SMILES:
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: