Ligand
Ligand Name:   TG-0205221
Ligand Type:   non-polymer
Ligand ID:   COVPDB1148 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccccc1COC(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O
Standard InChI:   InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1
Molecular Formula:   C32H48N4O7 Mol. Weight:   600.3523 logP:   3.1501
HBD:   4 HBA:   7
#Rotatable Bonds:   14 TPSA:   151.93

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 7C8T NOL
-
-
SHOW
Replicase polyprotein 1ab P0C6X7 (R1AB_SARS) Severe acute respiratory syndrome coronavirus (SARS-CoV) 2GX4 NOL
-
-
SHOW