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TargetRenin
LigandBDBM50004397
Substrate/Competitorn/a
Meas. Tech.ChEBML_195957
IC50 92±n/a nM
Citation Ashton, WTCantone, CLTolman, RLGreenlee, WJLynch, RJSchorn, TWStrouse, JFSiegl, PK Inhibitors of human renin with C-termini derived from amides and esters of alpha-mercaptoalkanoic acids. J Med Chem35:2772-81 (1992) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Renin
Name:Renin
Synonyms:Angiotensinogenase
Type:Enzyme
Mol. Mass.:45058.99
Organism:Homo sapiens (Human)
Description:n/a
Residue:406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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  Blast E-value cutoff:
BDBM50004397
NameBDBM50004397
Synonyms:CHEMBL330538 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy-3-{[(pyridin-4-ylmethyl)-carbamoyl]-methylsulfanyl}-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester; hydrate
TypeSmall organic molecule
Emp. Form.C38H53N7O6S
Mol. Mass.735.936
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NCc1ccncc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a