Target
Renin
Ligand
BDBM50003181
Substrate
n/a
Meas. Tech.
ChEBML_195749
pH
7.4±n/a
IC50
1.30±n/a nM
Comments
extracted
Citation
 Weber, AESteiner, MGKrieter, PAColletti, AETata, JRHalgren, TABall, RGDoyle, JJSchorn, TWStearns, RA Highly potent, orally active diester macrocyclic human renin inhibitors. J Med Chem 35:3755-73 (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:
BDBM50003181
Synonyms:
(diastereomer-1) (1-{6-Cyclohexylmethyl-7-hydroxy-4,8,14-trioxo-10-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,9-dioxa-5-aza-cyclotetradec-3-ylcarbamoyl}-2-phenyl-ethyl)-carbamic acid tert-butyl ester | (diastereomer-2) (1-{6-Cyclohexylmethyl-7-hydroxy-4,8,14-trioxo-10-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,9-dioxa-5-aza-cyclotetradec-3-ylcarbamoyl}-2-phenyl-ethyl)-carbamic acid tert-butyl ester | CHEMBL125014
Type:
Small organic molecule
Emp. Form.:
C36H51Cl3N4O11
Mol. Mass.:
822.169
SMILES:
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCC(CNC(=O)OCC(Cl)(Cl)Cl)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Structure:
Search PDB for entries with ligand similarity: