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TargetRenin
LigandBDBM50003187
Substrate/Competitorn/a
Meas. Tech.ChEMBL_879253
IC50 590±n/a nM
Citation Marsault, EPeterson, ML Macrocycles are great cycles: applications, opportunities, and challenges of synthetic macrocycles in drug discovery. J Med Chem54:1961-2004 (2011) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50003187
NameBDBM50003187
Synonyms:CHEMBL92538 | [1-(4-Cyclohexylmethyl-3-hydroxy-2,6,10-trioxo-1-oxa-5,9-diaza-cyclotetradec-7-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester
TypeSmall organic molecule
Emp. Form.C32H48N4O8
Mol. Mass.616.7455
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)CCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a