Ligand
Ligand Name:   2F-DNPX
Ligand Type:   saccharide
Ligand ID:   COVPDB692 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O[C@@H]1CO[C@@H]([C@H](F)[C@H]1O)Oc2c([N+]([O-])=O)cc([N+]([O-])=O)cc2
Standard InChI:   InChI=1S/C11H11FN2O8/c12-9-10(16)7(15)4-21-11(9)22-8-2-1-5(13(17)18)3-6(8)14(19)20/h1-3,7,9-11,15-16H,4H2/t7-,9-,10+,11-/m1/s1
Molecular Formula:   C11H11FN2O8 Mol. Weight:   318.04996 logP:   0.298
HBD:   2 HBA:   8
#Rotatable Bonds:   4 TPSA:   145.2

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-xylosidase P36906 (XYNB_THESA) Thermoanaerobacterium saccharolyticum 1UHV DFX
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