6KZ-4CIA
General
Type : Carboxamide,Morpholine,Oxadiazol
Chemical_Nomenclature : N-[(2S)-1-[[(1R,2S)-1-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
Canonical SMILES : CCC(C(C1=NOC(=N1)C2=CC=CC=C2)O)NC(=O)C(CC(C)C)NC(=O)N3CCOCC3
InChI : InChI=1S\/C23H33N5O5\/c1-4-17(19(29)20-26-22(33-27-20)16-8-6-5-7-9-16)24-21(30)18(14-15(2)3)25-23(31)28-10-12-32-13-11-28\/h5-9,15,17-19,29H,4,10-14H2,1-3H3,(H,24,30)(H,25,31)\/t17-,18-,19+\/m0\/s1
InChIKey : SEDXNAIXMHPLCI-GBESFXJTSA-N
Other name(s) : N-[(2s)-4-Methyl-1-Oxidanylidene-1-[[(1r,2s)-1-Oxidanyl-1-(5-Phenyl-1,2,4-Oxadiazol-3-Yl)butan-2-Yl]amino]pentan-2-Yl]morpholine-4-Carboxamide,N-[(1R,2S)-1-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide
MW : 459.5
Formula : C23H33N5O5
CAS_number :
PubChem : 137348478
UniChem : SEDXNAIXMHPLCI-GBESFXJTSA-N
IUPHAR :
Wikipedia :
Target
Families : 6KZ-4CIA ligand of proteins in family: Carboxypeptidase_S10
Stucture : 4CIA Crystal structure of human cathepsin A, complexed compound 1 6KZ-4CIA
Protein : human-CTSA
References (1)
| Title : Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases - Schreuder_2014_Biochem.Biophys.Res.Commun_445_451 |
| Author(s) : Schreuder HA , Liesum A , Kroll K , Bohnisch B , Buning C , Ruf S , Sadowski T |
| Ref : Biochemical & Biophysical Research Communications , 445 :451 , 2014 |
| Abstract : Schreuder_2014_Biochem.Biophys.Res.Commun_445_451 |
| ESTHER : Schreuder_2014_Biochem.Biophys.Res.Commun_445_451 |
| PubMedSearch : Schreuder_2014_Biochem.Biophys.Res.Commun_445_451 |
| PubMedID: 24530914 |
| Gene_locus related to this paper: human-CTSA |