Ligand
Ligand Name:   E-64-C
Ligand Type:   non-polymer
Ligand ID:   COVPDB741 PubChem:   9995770
Synonym(s):  
  •   zinc1532953
  • ncgc00018306-01
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1O[C@H]1C(O)=O
Standard InChI:   InChI=1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11+,12+/m0/s1
Molecular Formula:   C15H26N2O5 Mol. Weight:   314.18417 logP:   0.5316
HBD:   3 HBA:   4
#Rotatable Bonds:   9 TPSA:   108.03

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) 1ITO E6C IC50 : 40 nM BindingDB SHOW
Papain P00784 (PAPA1_CARPA) Carica papaya (Papaya) 1PE6 E6C Ki : 2400 nM BindingDB SHOW
Papain P00784 (PAPA1_CARPA) Carica papaya (Papaya) 1PPP E6C Ki : 2400 nM BindingDB SHOW