Ligand
Ligand Name:   Cbz-Leu-Phe-AGln-EP-COOEt
Ligand Type:   non-polymer
Ligand ID:   COVPDB519 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCOC(=O)[C@H]1O[C@H]1C(=O)N(CCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3
Standard InChI:   InChI=1S/C32H41N5O9/c1-4-44-31(42)27-26(46-27)30(41)37(16-15-25(33)38)36-29(40)24(18-21-11-7-5-8-12-21)34-28(39)23(17-20(2)3)35-32(43)45-19-22-13-9-6-10-14-22/h5-14,20,23-24,26-27H,4,15-19H2,1-3H3,(H2,33,38)(H,34,39)(H,35,43)(H,36,40)/t23-,24-,26+,27-/m0/s1
Molecular Formula:   C32H41N5O9 Mol. Weight:   639.2904 logP:   1.1207
HBD:   4 HBA:   9
#Rotatable Bonds:   16 TPSA:   198.76

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1ab P0C6X7 (R1AB_SARS) Severe acute respiratory syndrome coronavirus (SARS-CoV) 2A5K AZP
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-
SHOW
Replicase polyprotein 1ab P0C6X7 (R1AB_SARS) Severe acute respiratory syndrome coronavirus (SARS-CoV) 2A5I AZP
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-
SHOW
Replicase polyprotein 1ab P0C6X7 (R1AB_SARS) Severe acute respiratory syndrome coronavirus (SARS-CoV) 2GTB AZP
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-
SHOW