Ligand |
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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 |