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TargetRenin
LigandBDBM50025932
Substrate/Competitorn/a
Meas. Tech.ChEMBL_196261
Ki 3.6±n/a nM
Citation Evans, BERittle, KEBock, MGBennett, CDDiPardo, RMBoger, JPoe, MUlm, EHLaMont, BIBlaine, EH A uniquely potent renin inhibitor and its unanticipated plasma binding component. J Med Chem28:1755-6 (1986) [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:
BDBM50025932
NameBDBM50025932
Synonyms:CHEMBL3144406 | CHEMBL48627 | Nitrate salt of {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-1-hydroxy-ethyl}-3-methyl-butylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
TypeSmall organic molecule
Emp. Form.C43H65N11O10
Mol. Mass.896.0439
SMILESO[N+]([O-])=O.CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(CN=C(N)N)c1 |r,wU:12.11,44.45,38.39,wD:22.22,8.6,(-1.54,,;;.77,1.33,;.77,-1.33,;18.37,2.44,;19.8,3.03,;20,4.56,;21.02,2.09,;20.81,.56,;22.03,-.38,;23.46,.21,;23.66,1.74,;24.68,-.73,;24.47,-2.25,;23.05,-2.84,;22.69,-4.34,;21.15,-4.46,;20.57,-3.03,;21.74,-2.03,;26.1,-.14,;27.32,-1.08,;27.12,-2.61,;28.75,-.49,;28.95,1.03,;30.37,1.62,;30.58,3.15,;32,3.73,;33.22,2.8,;33.02,1.27,;31.59,.68,;29.97,-1.43,;29.76,-2.96,;30.98,-3.9,;28.34,-3.55,;28.14,-5.07,;27.93,-6.6,;26.61,-4.87,;29.66,-5.28,;19.39,-.02,;19.19,-1.55,;18.17,.92,;16.75,.33,;16.54,-1.2,;15.53,1.27,;14.1,.68,;13.9,-.84,;12.48,-1.43,;12.27,-2.96,;11.25,-.49,;12.88,1.62,;13.09,3.15,;11.46,1.03,;10.24,1.97,;8.81,1.39,;8.61,-.14,;7.19,-.73,;5.97,.21,;6.17,1.74,;4.95,2.68,;5.15,4.2,;6.58,4.79,;6.78,6.32,;7.8,3.85,;7.59,2.33,)|
Structure
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