DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Galactose-binding lectin
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
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
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
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6VGF
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Color Legend
Unassigned regionsLigand / hetero atomse6vgfA1e6vgfB1e6vgfC1e6vgfD1
ECOD domains from experimental PDB structures interacting with ligand WA3
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P02872n/aWA36vgfe6vgfA1A:1-232
P02872n/aWA36vgfe6vgfB1B:1-232
P02872n/aWA36vgfe6vgfC1C:1-232
P02872n/aWA36vgfe6vgfD1D:1-232