Ligand
Ligand Name:   CF022
Ligand Type:   non-polymer
Ligand ID:   COVPDB297 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC[C@H]1[C@H]2[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N2CCCCCCCCN=[N+]=[N-]
Standard InChI:   InChI=1S/C15H28N4O4/c16-18-17-7-5-3-1-2-4-6-8-19-11-10(9-20)13(21)15(23)14(22)12(11)19/h10-15,20-23H,1-9H2/t10-,11-,12-,13+,14-,15-,19?/m0/s1
Molecular Formula:   C15H28N4O4 Mol. Weight:   328.21106 logP:   0.3949
HBD:   4 HBA:   6
#Rotatable Bonds:   10 TPSA:   132.69

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Oligosaccharide 4-alpha-D-glucosyltransferase B3PEE6 (OL4AG_CELJU) Cellvibrio japonicus (strain Ueda107) (Pseudomonas fluorescens subsp. cellulosa) 5I23 66V IC50 : 51.7 nM PDBBind SHOW