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TargetRenin
LigandBDBM50004404
Substrate/Competitorn/a
Meas. Tech.ChEBML_195957
IC50 4.2±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:
BDBM50004404
NameBDBM50004404
Synonyms:CHEMBL317370 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy-3-[(1-oxy-1-aza-bicyclo[2.2.2]oct-3-ylcarbamoyl)-methanesulfonyl]-propylcarbamoyl}-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
TypeSmall organic molecule
Emp. Form.C39H59N7O9S
Mol. Mass.801.992
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)CS(=O)(=O)CC(=O)NC1C[N+]2([O-])CCC1CC2 |wU:29.30,8.7,wD:19.19,37.40,(-4.3,-4.07,;-4.3,-5.62,;-3.9,-7.11,;-5.63,-6.39,;-2.96,-6.39,;-1.63,-5.62,;-.28,-6.39,;-1.63,-4.07,;-.28,-3.31,;-.28,-1.76,;-1.63,-.99,;-1.62,.56,;-2.96,1.33,;-4.3,.55,;-4.3,-.98,;-2.96,-1.76,;1.06,-4.07,;1.06,-5.07,;2.39,-3.31,;3.72,-4.07,;3.72,-5.62,;2.63,-6.69,;1.11,-6.45,;.4,-7.82,;1.49,-8.91,;2.86,-8.22,;5.05,-3.31,;5.05,-1.76,;6.4,-4.07,;7.74,-3.31,;7.74,-1.76,;9.07,-.99,;9.05,.55,;10.41,1.31,;11.74,.55,;11.73,-1,;10.41,-1.76,;9.07,-4.07,;9.07,-5.62,;10.41,-3.31,;11.74,-4.07,;10.78,-5.13,;12.91,-5.29,;13.09,-3.31,;14.43,-4.07,;14.43,-5.62,;15.76,-3.31,;17.09,-4.09,;17.09,-5.61,;18.42,-6.39,;18.4,-7.93,;19.76,-5.64,;19.76,-4.09,;18.42,-3.31,;17.64,-4.64,;19.12,-5.03,)|
Structure
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