Target
Renin
Ligand
BDBM50003183
Substrate
n/a
Meas. Tech.
ChEMBL_195749 (CHEMBL801600)
pH
7.4±n/a
IC50
17±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:
BDBM50003183
Synonyms:
(diastereomer-1)[1-(7-Cyclohexylmethyl-6-hydroxy-3-morpholin-4-ylmethyl-5,9,13-trioxo-1,4-dioxa-8-aza-cyclotridec-10-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester | (diastereomer-2)[1-(7-Cyclohexylmethyl-6-hydroxy-3-morpholin-4-ylmethyl-5,9,13-trioxo-1,4-dioxa-8-aza-cyclotridec-10-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester | CHEMBL339673
Type:
Small organic molecule
Emp. Form.:
C36H54N4O10
Mol. Mass.:
702.8348
SMILES:
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Structure:
Search PDB for entries with ligand similarity: