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TargetRenin
LigandBDBM50003165
Substrate/Competitorn/a
Meas. Tech.ChEBML_195749
pH7.4±n/a
IC50 1.1±n/a nM
Commentsextracted
Citation Weber, AESteiner, MGKrieter, PAColletti, AETata, JRHalgren, TABall, RGDoyle, JJSchorn, TWStearns, RA Highly potent, orally active diester macrocyclic human renin inhibitors. J Med Chem35:3755-73 (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:
BDBM50003165
NameBDBM50003165
Synonyms:1N-[1-[12-cyclohexylmethyl-11-hydroxy-8-(1,4-oxazinan-4-ylmethyl)-4,10,14-trioxo-(1S,8R,11R,12S)-3,9-dioxa-13-azacyclotetradecanylcarbamoyl]-2-phenyl-(1S)-ethyl]-3-amino-3-methylbutanamide.trifluoroacetate | CID44348732 | morpholinomethyl macrocycle derivative 35
TypeSmall organic molecule
Emp. Form.C37H57N5O9
Mol. Mass.715.8766
SMILESCC(C)(N)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=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