Ligand
Ligand Name:   cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl
Ligand Type:   non-polymer
Ligand ID:   COVPDB743 PubChem:   155568446
Synonym(s):  
  •   chembl4590737
DrugBank:   - ChEMBL:   CHEMBL4590737
Canonical SMILES:   c1ccccc1/C=C/C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc3ccccc3
Standard InChI:   InChI=1S/C30H36N4O5/c1-20(2)17-25(33-26(35)14-13-21-9-5-3-6-10-21)29(38)34-24(18-23-15-16-31-28(23)37)27(36)30(39)32-19-22-11-7-4-8-12-22/h3-14,20,23-25H,15-19H2,1-2H3,(H,31,37)(H,32,39)(H,33,35)(H,34,38)/b14-13+/t23-,24-,25-/m0/s1
Molecular Formula:   C30H36N4O5 Mol. Weight:   532.26855 logP:   2.1272
HBD:   4 HBA:   5
#Rotatable Bonds:   13 TPSA:   133.47

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1ab P0C6X5 (R1AB_CVHNL) Human coronavirus NL63 (HCoV-NL63) 6FV1 E8E
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