Ligand |
||
Ligand Name: WRR-204 | ||
Ligand Type: peptide-like | ||
Ligand ID: COVPDB1450 | PubChem: 10348540 | |
Synonym(s):
|
||
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 |
- |
- |
SHOW |