DrugDomain logoDrugDomain

Attributes

UniProt ID
Q21A49
Protein Name
Aldehyde dehydrogenase
Ligand Name
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
DrugBank ID
DB14128
PDB Ligand Accession
NAD
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 5JFL
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Color Legend
Unassigned regionsLigand / hetero atomse5jflA1e5jflA2e5jflB1e5jflB2e5jflC1e5jflC2e5jflD1e5jflD2e5jflE1e5jflE2e5jflF1e5jflF2e5jflG1e5jflG2e5jflH1e5jflH2
ECOD domains from experimental PDB structures interacting with ligand DB14128
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q21A49DB14128NAD5jfle5jflA1A:299-524
Q21A49DB14128NAD5jfle5jflA2A:85-298
Q21A49DB14128NAD5jfle5jflB1B:299-524
Q21A49DB14128NAD5jfle5jflB2B:86-298
Q21A49DB14128NAD5jfle5jflC1C:86-298
Q21A49DB14128NAD5jfle5jflC2C:299-524
Q21A49DB14128NAD5jfle5jflD1D:299-524
Q21A49DB14128NAD5jfle5jflD2D:44-49,D:86-298
Q21A49DB14128NAD5jfle5jflE1E:86-298
Q21A49DB14128NAD5jfle5jflE2E:299-524
Q21A49DB14128NAD5jfle5jflF1F:85-298
Q21A49DB14128NAD5jfle5jflF2F:299-524
Q21A49DB14128NAD5jfle5jflG1G:44-49,G:86-298
Q21A49DB14128NAD5jfle5jflG2G:299-524
Q21A49DB14128NAD5jfle5jflH1H:299-524
Q21A49DB14128NAD5jfle5jflH2H:86-298