DrugDomain logoDrugDomain

Attributes

UniProt ID
Q21A49
Protein Name
Aldehyde dehydrogenase
Ligand Name
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
DrugBank ID
DB03461
PDB Ligand Accession
NAP
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)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: 6GVS
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Color Legend
Unassigned regionsLigand / hetero atomse6gvsA1e6gvsA2e6gvsB1e6gvsB2e6gvsC1e6gvsC2e6gvsD1e6gvsD2e6gvsE1e6gvsE2e6gvsF1e6gvsF2e6gvsG1e6gvsG2e6gvsH1e6gvsH2e6gvsI1e6gvsI2e6gvsJ1e6gvsJ2
ECOD domains from experimental PDB structures interacting with ligand DB03461
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q21A49DB03461NAP6gvse6gvsA1A:82-296
Q21A49DB03461NAP6gvse6gvsA2A:297-522
Q21A49DB03461NAP6gvse6gvsB1B:83-296
Q21A49DB03461NAP6gvse6gvsB2B:297-522
Q21A49DB03461NAP6gvse6gvsC1C:82-296
Q21A49DB03461NAP6gvse6gvsC2C:297-522
Q21A49DB03461NAP6gvse6gvsD1D:83-296
Q21A49DB03461NAP6gvse6gvsD2D:297-522
Q21A49DB03461NAP6gvse6gvsE1E:82-296
Q21A49DB03461NAP6gvse6gvsE2E:297-522
Q21A49DB03461NAP6gvse6gvsF1F:82-296
Q21A49DB03461NAP6gvse6gvsF2F:297-522
Q21A49DB03461NAP6gvse6gvsG1G:83-296
Q21A49DB03461NAP6gvse6gvsG2G:297-522
Q21A49DB03461NAP6gvse6gvsH1H:297-522
Q21A49DB03461NAP6gvse6gvsH2H:82-296
Q21A49DB03461NAP6gvse6gvsI1I:82-296
Q21A49DB03461NAP6gvse6gvsI2I:297-522
Q21A49DB03461NAP6gvse6gvsJ1J:297-522
Q21A49DB03461NAP6gvse6gvsJ2J:83-296