Ligand
Ligand Name:   E64-R-P-NH2
Ligand Type:   peptide-like
Ligand ID:   COVPDB740 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)C[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O)C(=O)NCCCCNC(N)=N
Standard InChI:   InChI=1S/C26H47N11O6/c1-14(2)13-16(21(39)32-9-3-4-10-33-25(28)29)36-23(41)19-18(43-19)22(40)35-15(7-5-11-34-26(30)31)24(42)37-12-6-8-17(37)20(27)38/h14-19H,3-13H2,1-2H3,(H2,27,38)(H,32,39)(H,35,40)(H,36,41)(H4,28,29,33)(H4,30,31,34)/t15-,16+,17-,18-,19-/m0/s1
Molecular Formula:   C26H47N11O6 Mol. Weight:   609.3711 logP:   -3.11146
HBD:   10 HBA:   8
#Rotatable Bonds:   18 TPSA:   287.03

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Genome polyprotein P03305 (POLG_FMDVO) Foot-and-mouth disease virus (isolate Bovine/Germany/O1Kaufbeuren/1966 serotype O) (FMDV) 4QBB E69 Ki : 30 nM PDBBind SHOW