Ligand name: (2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol
PDB ligand accession: WA3
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: BEFBDKWEVXNDEF-GYSUOSJOSA-N
SMILES: c1c(nnn1CC2C(C(C(C(O2)OC3C(C(C(C(O3)Cn4cc(nn4)CSCC5C(C(C(C(O5)SC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSCC7C(C(C(C(O7)SC8C(C(C(C(O8)CO)O)O)O)O)O)O
List of proteins that are targets for WA3
# |
DrugDomain Data |
UniProt Accession |
Drug Action |
Affinity data |
1
|
P02872_WA3
|
P02872
|
n/a
|
|