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Target
Neprilysin
Ligand
BDBM50130713
Substrate
n/a
Meas. Tech.
ChEMBL_144317 (CHEMBL754362)
IC50
20000±n/a nM
Citation
 Filimonov, DA; Gomazkov, OA; Lagunin, AA; Gureeva, TA; Dilakyan, EA; Kugaevskaya, EV; Elisseeva, YE; Solovyeva, NI; Poroikov, VV Computer-aided selection of potential antihypertensive compounds with dual mechanism of action. J Med Chem 46:3326-32 (2003) [PubMed]  Article 
Target
Name:
Neprilysin
Synonyms:
Atriopeptidase | CALLA | CD_antigen=CD10 | Common acute lymphocytic leukemia antigen | EPN | Enkephalinase | MME | NEP | NEP_HUMAN | Neutral Endopeptidase (NEP) | Neutral endopeptidase | Neutral endopeptidase 24.11
Type:
Enzyme
Mol. Mass.:
85505.38
Organism:
Homo sapiens (Human)
Description:
P08473
Residue:
750
Sequence:
MGKSESQMDITDINTPKPKKKQRWTPLEISLSVLVLLLTIIAVTMIALYATYDDGICKSSDCIKSAARLIQNMDATTEPCTDFFKYACGGWLKRNVIPETSSRYGNFDILRDELEVVLKDVLQEPKTEDIVAVQKAKALYRSCINESAIDSRGGEPLLKLLPDIYGWPVATENWEQKYGASWTAEKAIAQLNSKYGKKVLINLFVGTDDKNSVNHVIHIDQPRLGLPSRDYYECTGIYKEACTAYVDFMISVARLIRQEERLPIDENQLALEMNKVMELEKEIANATAKPEDRNDPMLLYNKMTLAQIQNNFSLEINGKPFSWLNFTNEIMSTVNISITNEEDVVVYAPEYLTKLKPILTKYSARDLQNLMSWRFIMDLVSSLSRTYKESRNAFRKALYGTTSETATWRRCANYVNGNMENAVGRLYVEAAFAGESKHVVEDLIAQIREVFIQTLDDLTWMDAETKKRAEEKALAIKERIGYPDDIVSNDNKLNNEYLELNYKEDEYFENIIQNLKFSQSKQLKKLREKVDKDEWISGAAVVNAFYSSGRNQIVFPAGILQPPFFSAQQSNSLNYGGIGMVIGHEITHGFDDNGRNFNKDGDLVDWWTQQSASNFKEQSQCMVYQYGNFSWDLAGGQHLNGINTLGENIADNGGLGQAYRAYQNYIKKNGEEKLLPGLDLNHKQLFFLNFAQVWCGTYRPEYAVNSIKTDVHSPGNFRIIGTLQNSAEFSEAFHCRKNSYMNPEKKCRVW
  
Inhibitor
Name:
BDBM50130713
Synonyms:
CHEMBL326801 | Thioacetic acid S-(2-benzylcarbamoyl-propyl) ester
Type:
Small organic molecule
Emp. Form.:
C13H17NO2S
Mol. Mass.:
251.345
SMILES:
CC(CSC(C)=O)C(=O)NCc1ccccc1
Structure:
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