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Reaction Details
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TargetRenin
LigandBDBM50280493
Substrate/Competitorn/a
Meas. Tech.ChEBML_195763
IC50 250±n/a nM
Citation Schirlin, DTarnus, CBaltzer, SRémy, JM MDL 74147, a novel selective and soluble inhibitor of human renin. Synthesis, structure-activity relationship, species and protease selectivities. Bioorg Med Chem Lett2:651-654 (1992)    Article
More Info.:Get all data from this article,  Assay Method
 
Renin
Name:Renin
Synonyms:Angiotensinogenase | REN | RENI_HUMAN
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:
BDBM50280493
n/a
NameBDBM50280493
Synonyms:CHEMBL430077 | {(S)-1-[(S)-1-((S)-1-Cyclohexylmethyl-3,3,3-trifluoro-2-oxo-propylcarbamoyl)-3-methyl-butylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
TypeSmall organic molecule
Emp. Form.C30H44F3N3O5
Mol. Mass.583.6827
SMILESCC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: