Reaction Details Report a problem with these data
Target
Neprilysin
Ligand
BDBM50048501
Substrate
n/a
Meas. Tech.
ChEMBL_144479 (CHEMBL754638)
IC50
140±n/a nM
Citation
 Robl, JA; Cimarusti, MP; Simpkins, LM; Brown, B; Ryono, DE; Bird, JE; Asaad, MM; Schaeffer, TR; Trippodo, NC Dual metalloprotease inhibitors. 6. Incorporation of bicyclic and substituted monocyclic azepinones as dipeptide surrogates in angiotensin-converting enzyme/neutral endopeptidase inhibitors. J Med Chem 39:494-502 (1996) [PubMed]  Article 
Target
Name:
Neprilysin
Synonyms:
Mme | NEP_RAT | Neprilysin | Neutral Endopeptidase (NEP) | Neutral endopeptidase 24.11
Type:
Protein
Mol. Mass.:
85789.59
Organism:
Rattus norvegicus (Rat)
Description:
P07861
Residue:
750
Sequence:
MGRSESQMDITDINAPKPKKKQRWTPLEISLSVLVLLLTIIAVTMIALYATYDDGICKSSDCIKSAARLIQNMDASAEPCTDFFKYACGGWLKRNVIPETSSRYSNFDILRDELEVILKDVLQEPKTEDIVAVQKAKTLYRSCINESAIDSRGGQPLLTLLPDIYGWPVASQNWEQTYGTSWTAEKSIAQLNSKYGKKVLINFFVGTDDKNSTQHIIHFDQPRLGLPSRDYYECTGIYKEACTAYVDFMISVARLIRQEQRLPIDENQLSLEMNKVMELEKEIANATTKPEDRNDPMLLYNKMTLAKLQNNFSLEINGKPFSWSNFTNEIMSTVNINIQNEEEVVVYAPEYLTKLKPILTKYSPRDLQNLMSWRFIMDLVSSLSRNYKESRNAFRKALYGTTSETATWRRCANYVNGNMENAVGRLYVEAAFAGESKHVVEDLIAQIREVFIQTLDDLTWMDAETKKKAEEKALAIKERIGYPDDIISNENKLNNEYLELNYKEEEYFENIIQNLKFSQSKQLKKLREKVDKDEWISGAAVVNAFYSSGRNQIVFPAGILQPPFFSARQSNSLNYGGIGMVIGHEITHGFDDNGRNFNKDGDLVDWWTQQSANNFKDQSQCMVYQYGNFTWDLAGGQHLNGINTLGENIADNGGIGQAYRAYQNYVKKNGEEKLLPGLDLNHKQLFFLNFAQVWCGTYRPEYAVNSIKTDVHSPGNFRIIGTLQNSAEFADAFHCRKNSYMNPERKCRVW
  
Inhibitor
Name:
BDBM50048501
Synonyms:
CHEMBL146823 | [(3S,7R)-7-Cyclopropylmethyl-3-((S)-2-mercapto-3-phenyl-propionylamino)-2-oxo-azepan-1-yl]-acetic acid
Type:
Small organic molecule
Emp. Form.:
C21H28N2O4S
Mol. Mass.:
404.523
SMILES:
OC(=O)CN1[C@@H](CC2CC2)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Structure:
Search PDB for entries with ligand similarity: