Ligand
Ligand Name:   (1S,2S,3S)-6-[(2,4-dinitrophenoxy)methyl]-3-fluorocyclohex-5-ene-1,2,4-triol
Ligand Type:   non-polymer
Ligand ID:   COVPDB790 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   F[C@@H]1[C@@H](O)[C@@H](O)C(=C[C@@H]1O)COc2ccc([N+]([O-])=O)cc2[N+]([O-])=O
Standard InChI:   InChI=1S/C13H13FN2O8/c14-11-9(17)3-6(12(18)13(11)19)5-24-10-2-1-7(15(20)21)4-8(10)16(22)23/h1-4,9,11-13,17-19H,5H2/t9-,11-,12-,13+/m0/s1
Molecular Formula:   C13H13FN2O8 Mol. Weight:   344.06558 logP:   0.2426
HBD:   3 HBA:   8
#Rotatable Bonds:   5 TPSA:   156.2

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Alpha-galactosidase G4FEF4 (AGAL_THEMA) Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8) 6GWG FEK
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