Ligand
Ligand Name:   Z-ALA PROLINAL
Ligand Type:   non-polymer
Ligand ID:   COVPDB1500 PubChem:   122623
Synonym(s):  
  •   z-pro-prolinal
  • n-benzyloxycarbonyl-prolyl-prolinal
  • n-benzyloxycarbonyl-l-prolyl-l-prolinal
  • z-prolyl-prolinal
  • prolyl endopeptidase inhibitor ii
  • 86925-97-5
  • unii-4ym8d0gkx6
  • 4ym8d0gkx6
  • chembl79993
  • 88795-32-8
  • brn 4821785
  • bspbio_001545
  • kbiogr_000265
  • kbioss_000265
  • schembl1219336
  • kbio2_000265
  • kbio2_002833
  • kbio2_005401
  • kbio3_000529
  • kbio3_000530
  • bio2_000265
  • bio2_000745
  • dtxsid301008412
  • hms1361n07
  • hms1791n07
  • hms1989n07
  • hms3402n07
  • zinc3803443
  • bdbm50038879
  • ccg-207869
  • db03535
  • idi1_034015
  • ncgc00163404-01
  • ncgc00163404-02
  • 2-pyrrolidinecarboxylic acid, 2-((2-formyl-1-pyrrolidinyl)carbonyl)-, phenylmethyl ester, (s-(r*,r*))-
  • brd-k60174629-001-02-2
  • q27094471
  • (s)-benzyl 2-((s)-2-formylpyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
  • (s)-2-(2-formyl-pyrrolidine-1-carbonyl)-pyrrolidine-1-carboxylic acid benzyl ester
  • benzyl (2s)-2-{[(2s)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate
show 39 synonym(s)
DrugBank:   DB03535 ChEMBL:   CHEMBL79993
Canonical SMILES:   c1ccccc1COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O
Standard InChI:   InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
Molecular Formula:   C18H22N2O4 Mol. Weight:   330.15796 logP:   1.9775
HBD:   0 HBA:   4
#Rotatable Bonds:   4 TPSA:   66.92

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Prolyl endopeptidase P23687 (PPCE_PIG) Sus scrofa (Pig) 1QFS ZPR IC50 : 0.33-54 nM, Ki : 0.21-4.3 nM, Ki : 4.3 nM, Ki : 0.35 nM, IC50 : 54 nM, IC50 : 1.1 nM, Ki : 0.21 nM, IC50 : 0.33 nM BindingDB SHOW
Prolyl endopeptidase P23687 (PPCE_PIG) Sus scrofa (Pig) 1H2Y ZPR IC50 : 0.33-54 nM, Ki : 0.21-4.3 nM, Ki : 0.35 nM, Ki : 4.3 nM, IC50 : 0.33 nM, IC50 : 1.1 nM, Ki : 0.21 nM, IC50 : 54 nM BindingDB SHOW
Prolyl endopeptidase Q9X6R4 (Q9X6R4_AERCA) Aeromonas caviae (Aeromonas punctata) 3MUO ZPR
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-
SHOW
Prolyl endopeptidase Q9X6R4 (Q9X6R4_AERCA) Aeromonas caviae (Aeromonas punctata) 3IVM ZPR
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SHOW
Prolyl endopeptidase Pep Q9X5N2 (Q9X5N2_MYXXA) Myxococcus xanthus 2BKL ZAH
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SHOW