Ligand
Ligand Name:   benzyl N-[(1S)-1-{[(1E,3S)-1-[(4-nitrophenoxy)sulfonyl]-5-phenylpent-1-en-3-yl]carbamoyl}-2-phenylethyl]carbamate
Ligand Type:   non-polymer
Ligand ID:   COVPDB1448 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   [O-][N+](=O)c1ccc(cc1)OS(=O)(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4
Standard InChI:   InChI=1S/C34H33N3O8S/c38-33(32(24-27-12-6-2-7-13-27)36-34(39)44-25-28-14-8-3-9-15-28)35-29(17-16-26-10-4-1-5-11-26)22-23-46(42,43)45-31-20-18-30(19-21-31)37(40)41/h1-15,18-23,29,32H,16-17,24-25H2,(H,35,38)(H,36,39)/b23-22+/t29-,32-/m0/s1
Molecular Formula:   C34H33N3O8S Mol. Weight:   643.19885 logP:   5.4724
HBD:   2 HBA:   8
#Rotatable Bonds:   15 TPSA:   153.94

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cruzipain P25779 (CYSP_TRYCR) Trypanosoma cruzi 1F2B VS3
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