Ligand
Ligand Name:   N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
Ligand Type:   non-polymer
Ligand ID:   COVPDB6 PubChem:   49866368
Synonym(s):  
  •   db04579
  • q27449826
  • ca042; n-(l-3-trans-ethoxycarbonyloxirane-2-carbonyl)-l-threonyl-l-isoleucine
  • n-{[(2s,3s)-3-(ethoxycarbonyl)-2-oxiranyl]carbonyl}-l-threonyl-l-isoleucine
show 3 synonym(s)
DrugBank:   DB04579 ChEMBL:   CHEMBL1229521
Canonical SMILES:   CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Standard InChI:   InChI=1S/C16H26N2O8/c1-5-7(3)9(15(22)23)17-13(20)10(8(4)19)18-14(21)11-12(26-11)16(24)25-6-2/h7-12,19H,5-6H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t7-,8+,9-,10-,11-,12-/m0/s1
Molecular Formula:   C16H26N2O8 Mol. Weight:   374.1689 logP:   -1.202
HBD:   4 HBA:   7
#Rotatable Bonds:   10 TPSA:   154.56

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cathepsin B P07688 (CATB_BOVIN) Bos taurus (Bovine) 2DC7 042 IC50 : 410 nM BindingDB SHOW