Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50291953
Substrate
n/a
Meas. Tech.
ChEMBL_196279 (CHEMBL806633)
KOFF
0.00175 s-1
KON
2.28 M-1s-1
Citation
 Morelock, MM; Pargellis, CA; Graham, ET; Lamarre, D; Jung, G Time-resolved ligand exchange reactions: kinetic models for competitive inhibitors with recombinant human renin. J Med Chem 38:1751-61 (1995) [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:
BDBM50291953
Synonyms:
(R)-2-(2-Amino-thiazol-4-ylmethyl)-N*1*-((1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-N*4*-(1-methoxy-cyclohexylmethyl)-N*4*-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide | CHEMBL429165
Type:
Small organic molecule
Emp. Form.:
C40H64N6O6S
Mol. Mass.:
757.038
SMILES:
COC1(CN(CC(=O)N(C)CCc2ccccn2)C(=O)C[C@@H](Cc2csc(N)n2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)CCCCC1
Structure:
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