Ligand
Ligand Name:   WRR-204
Ligand Type:   peptide-like
Ligand ID:   COVPDB1450 PubChem:   10348540
Synonym(s):  
  •   chembl329669
DrugBank:   - ChEMBL:   CHEMBL329669
Canonical SMILES:   c1ccccc1COC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)Oc4ccccc4
Standard InChI:   InChI=1S/C34H34N2O6S/c37-33(32(25-28-15-7-2-8-16-28)36-34(38)41-26-29-17-9-3-10-18-29)35-30(22-21-27-13-5-1-6-14-27)23-24-43(39,40)42-31-19-11-4-12-20-31/h1-20,23-24,30,32H,21-22,25-26H2,(H,35,37)(H,36,38)/b24-23+/t30-,32-/m0/s1
Molecular Formula:   C34H34N2O6S Mol. Weight:   598.21375 logP:   5.5642
HBD:   2 HBA:   6
#Rotatable Bonds:   14 TPSA:   110.8

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