Ligand

Download

Ligand Name:   methyl 2-thio-beta-D-glucopyranoside
HET ID:   U2A PubChem:   132600593
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1S)O)O
Standard InChI:   InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
Molecular Formula:   C7H14O5S Mol. Weight:   210.24806 Heavy Atoms:   13
Charge:   0 Is Chiral:   True logP:   -1.6298
HBD:   4 HBA:   6 TPSA:   117.95
#Bonds:   18 #Rotatable Bonds:   2 Shape Complexity:   1.0
Stereocomplexity:   0.71428573
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
barley exohydrolaseI W434F mutant A0A287SCR5 (A0A287SCR5_HORVV) Hordeum vulgare 6JG7
-
-
SHOW
barley exohydrolaseI W434F mutant A0A287SCR5 (A0A287SCR5_HORVV) Hordeum vulgare 6JGG
-
-
SHOW
barley exohydrolaseI W434F mutant A0A287SCR5 (A0A287SCR5_HORVV) Hordeum vulgare 6JGQ
-
-
SHOW
barley exohydrolaseI W434F mutant A0A287SCR5 (A0A287SCR5_HORVV) Hordeum vulgare 6JGL
-
-
SHOW