Ligand
Ligand Name:   BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE
Ligand Type:   peptide-like
Ligand ID:   COVPDB1512 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C)C(=O)CF)NC(=O)OCc2ccccc2
Standard InChI:   InChI=1S/C21H23FN2O5/c1-14(19(26)12-22)23-20(27)18(11-15-7-9-17(25)10-8-15)24-21(28)29-13-16-5-3-2-4-6-16/h2-10,14,18,25H,11-13H2,1H3,(H,23,27)(H,24,28)/t14-,18+/m1/s1
Molecular Formula:   C21H23FN2O5 Mol. Weight:   402.1591 logP:   2.273
HBD:   3 HBA:   5
#Rotatable Bonds:   9 TPSA:   104.73

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