Covpdb









Ligand
Ligand Name:   (S,S)-GC376
Ligand Type:   peptide-like
Ligand ID:   COVPDB1009 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(O)(=O)=O
Standard InChI:   InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20-/m0/s1
Molecular Formula:   C21H31N3O8S Mol. Weight:   485.1832 logP:   0.5447
HBD:   5 HBA:   7
#Rotatable Bonds:   11 TPSA:   171.13

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Genome polyprotein P03300 (POLG_POL1M) Poliovirus type 1 (strain Mahoney) 4DCD K36 IC50 : 1770 nM PDBBind SHOW
Genome polyprotein Q83883 (POLG_NVN68) Norwalk virus (strain GI/Human/United States/Norwalk/1968) (Hu/NV/NV/1968/US) 3UR9 K36 IC50 : 490 nM PDBBind SHOW
Replicase polyprotein 1a P0C6V2 (R1A_CVPPU) Porcine transmissible gastroenteritis coronavirus (strain Purdue) (TGEV) 4F49 K36 IC50 : 820 nM PDBBind SHOW
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 7C8U K36
-
-
SHOW
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 6WTT K36
-
-
SHOW
3C-like proteinase K4L9I6 (K4L9I6_9ALPC) Porcine epidemic diarrhea virus 6L70 K36
-
-
SHOW
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 6WTJ K36
-
-
SHOW
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 6WTK UED
-
-
SHOW
Replicase polyprotein 1a K9N638 (R1A_MERS1) Middle East respiratory syndrome-related coronavirus (isolate United Kingdom/H123990006/2012) (MERS-CoV) (Betacoronavirus England 1) 5WKJ K36
-
-
SHOW