DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
PA-I galactophilic lectin
Ligand Name
N-[2-[4-[(2S)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZWUTXWGBJCMJNB-VGSBVMQVSA-N
SMILES
c1ccc(cc1)OCC(=O)NC(Cc2cn(nn2)CCNC(=O)c3ccc(cc3)SC4C(C(C(C(O4)CO)O)O)O)C(=O)NCCO
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 7FIO
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Color Legend
Unassigned regionsLigand / hetero atomse7fioA1e7fioB1e7fioC1e7fioD1
ECOD domains from experimental PDB structures interacting with ligand 4VH
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q05097n/a4VH7fioe7fioA1A:1-121
Q05097n/a4VH7fioe7fioB1B:1-121
Q05097n/a4VH7fioe7fioC1C:1-121
Q05097n/a4VH7fioe7fioD1D:1-121