Ligand |
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Ligand Name: Suc-Val-Pro-LysP-(OPh)2 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB20 | PubChem: 25108695 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: C1COCCN1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)CF)CCc2ccccc2 | ||
Standard InChI: InChI=1S/C22H32FN3O4/c1-16(2)14-19(25-22(29)26-10-12-30-13-11-26)21(28)24-18(20(27)15-23)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1 | ||
Molecular Formula: C22H32FN3O4 | Mol. Weight: 421.23767 | logP: 2.0991 |
HBD: 2 | HBA: 4 | |
#Rotatable Bonds: 10 | TPSA: 87.74 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Cruzipain | P25779 (CYSP_TRYCR) | Trypanosoma cruzi | 1EWP | 0I5 |
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