DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Neutrophil gelatinase-associated lipocalin
Ligand Name
N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide)
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
UPWYYPIMZVCQNS-UHFFFAOYSA-N
SMILES
c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 3HWG
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Color Legend
Unassigned regionsLigand / hetero atomse3hwgA1e3hwgB1e3hwgC1
ECOD domains from experimental PDB structures interacting with ligand QED
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P80188n/aQED3hwge3hwgA1A:4-178
P80188n/aQED3hwge3hwgB1B:5-177
P80188n/aQED3hwge3hwgC1C:4-177