Target
Renin
Ligand
BDBM50003179
Substrate
n/a
Meas. Tech.
ChEBML_195749
pH
7.4±n/a
IC50
840±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:
BDBM50003179
Synonyms:
(diastereomer-1)[1-(7-Cyclohexylmethyl-6-hydroxy-5,9,13-trioxo-1,4-dioxa-8-aza-cyclotridec-10-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester | CHEMBL339114
Type:
Small organic molecule
Emp. Form.:
C31H45N3O9
Mol. Mass.:
603.7037
SMILES:
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Structure:
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