Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeprilysin
LigandBDBM50073120
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1812412 (CHEMBL4311872)
IC50 0.199526±n/a nM
Citation McKinnell, RMFatheree, PChoi, SKGendron, RJendza, KOlson Blair, BBudman, JHill, CMHegde, LGYu, CMcConn, DHegde, SSMarquess, DGKlein, U Discovery of TD-0212, an Orally Active Dual Pharmacology AT ACS Med Chem Lett10:86-91 (2019) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Neprilysin
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:
MGKSESQMDITDINTPKPKKKQRWTPLEISLSVLVLLLTIIAVTMIALYATYDDGICKSS
DCIKSAARLIQNMDATTEPCTDFFKYACGGWLKRNVIPETSSRYGNFDILRDELEVVLKD
VLQEPKTEDIVAVQKAKALYRSCINESAIDSRGGEPLLKLLPDIYGWPVATENWEQKYGA
SWTAEKAIAQLNSKYGKKVLINLFVGTDDKNSVNHVIHIDQPRLGLPSRDYYECTGIYKE
ACTAYVDFMISVARLIRQEERLPIDENQLALEMNKVMELEKEIANATAKPEDRNDPMLLY
NKMTLAQIQNNFSLEINGKPFSWLNFTNEIMSTVNISITNEEDVVVYAPEYLTKLKPILT
KYSARDLQNLMSWRFIMDLVSSLSRTYKESRNAFRKALYGTTSETATWRRCANYVNGNME
NAVGRLYVEAAFAGESKHVVEDLIAQIREVFIQTLDDLTWMDAETKKRAEEKALAIKERI
GYPDDIVSNDNKLNNEYLELNYKEDEYFENIIQNLKFSQSKQLKKLREKVDKDEWISGAA
VVNAFYSSGRNQIVFPAGILQPPFFSAQQSNSLNYGGIGMVIGHEITHGFDDNGRNFNKD
GDLVDWWTQQSASNFKEQSQCMVYQYGNFSWDLAGGQHLNGINTLGENIADNGGLGQAYR
AYQNYIKKNGEEKLLPGLDLNHKQLFFLNFAQVWCGTYRPEYAVNSIKTDVHSPGNFRII
GTLQNSAEFSEAFHCRKNSYMNPEKKCRVW
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50073120
n/a
NameBDBM50073120
Synonyms:(4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid | (4S,7S,10aS)-4-((S)-2-mercapto-3-phenylpropanamido)-5-oxo-octahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid | BMS-186716 | CHEMBL289556 | OMAPATRILAT
TypeSmall organic molecule
Emp. Form.C19H24N2O4S2
Mol. Mass.408.535
SMILESOC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: