Ligand
Ligand Name:   WRR-99
Ligand Type:   peptide-like
Ligand ID:   COVPDB1274 PubChem:   15453570
Synonym(s):  
  •   sr-03000002941
  • sr-03000002941-1
  • (2s,3s)-3-[[(1r)-1-(isopentylcarbamoyl)-3-phenylpropyl]carbamoyl]oxirane-2-carboxylic acid
show 2 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)CCNC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(O)=O
Standard InChI:   InChI=1S/C19H26N2O5/c1-12(2)10-11-20-17(22)14(9-8-13-6-4-3-5-7-13)21-18(23)15-16(26-15)19(24)25/h3-7,12,14-16H,8-11H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t14-,15+,16+/m1/s1
Molecular Formula:   C19H26N2O5 Mol. Weight:   362.18417 logP:   1.1183
HBD:   3 HBA:   4
#Rotatable Bonds:   10 TPSA:   108.03

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cruzipain P25779 (CYSP_TRYCR) Trypanosoma cruzi 1EWL R99
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