Ligand
Ligand Name:   D-KDG
Ligand Type:   D-saccharide
Ligand ID:   COVPDB1326 PubChem:   161227
Synonym(s):  
  •   3-deoxy-2-oxo-d-gluconate
  • 2-dehydro-3-deoxy-d-gluconic acid
  • 2-keto-3-deoxygluconate
  • 3-deoxy-d-erythro-2-hexulosonic acid
  • 3-deoxy-d-erythro-hex-2-ulosonic acid
  • 17510-99-5
  • 2-keto-3-deoxy-d-gluconate
  • kdg
  • (4s,5r)-4,5,6-trihydroxy-2-oxohexanoic acid
  • 2-keto-3-deoxygluconic acid
  • schembl665741
  • chebi:17032
  • zinc1532568
  • lmfa01050475
  • d-erythro-2-hexulosonic acid, 3-deoxy-
  • c00204
  • q27102179
show 16 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1233832
Canonical SMILES:   OC[C@@H](O)[C@@H](O)CC(=O)C(O)=O
Standard InChI:   InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
Molecular Formula:   C6H10O6 Mol. Weight:   178.04774 logP:   -2.2557
HBD:   4 HBA:   5
#Rotatable Bonds:   5 TPSA:   115.06

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase O54288 (KDGA_SACSO) Saccharolobus solfataricus (Sulfolobus solfataricus) 1W3N SSH
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