Ligand
Ligand Name:   N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1159 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCNC(=O)/C=C\C(=O)Nc1cc(O)nn1C2CCCCCC2
Standard InChI:   InChI=1S/C16H24N4O3/c1-2-17-14(21)9-10-15(22)18-13-11-16(23)19-20(13)12-7-5-3-4-6-8-12/h9-12H,2-8H2,1H3,(H,17,21)(H,18,22)(H,19,23)/b10-9-
Molecular Formula:   C16H24N4O3 Mol. Weight:   320.18484 logP:   2.1148
HBD:   3 HBA:   5
#Rotatable Bonds:   5 TPSA:   96.25

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Genome polyprotein O91734 (POLG_EC01F) Echovirus 1 (strain Human/Egypt/Farouk/1951) (E-1) 5IYT NZN
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