Ligand
Ligand Name:   ethyl (2E,4S)-4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Ligand Type:   non-polymer
Ligand ID:   COVPDB836 PubChem:   44578826
Synonym(s):  
  •   chembl477398
DrugBank:   - ChEMBL:   CHEMBL477398
Canonical SMILES:   O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc2
Standard InChI:   InChI=1S/C25H35N3O6/c1-5-33-21(29)12-11-19(16-18-13-14-26-22(18)30)27-23(31)20(15-17-9-7-6-8-10-17)28-24(32)34-25(2,3)4/h6-12,18-20H,5,13-16H2,1-4H3,(H,26,30)(H,27,31)(H,28,32)/b12-11+/t18-,19+,20-/m0/s1
Molecular Formula:   C25H35N3O6 Mol. Weight:   473.2526 logP:   2.2527
HBD:   3 HBA:   6
#Rotatable Bonds:   10 TPSA:   122.83

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Genome polyprotein Q5UEA2 (Q5UEA2_9ENTO) Coxsackievirus B3 3ZZ7 G81
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SHOW
Replicase polyprotein 1ab P0C6X7 (R1AB_SARS) Severe acute respiratory syndrome coronavirus (SARS-CoV) 3TIT G81
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SHOW