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Attributes

UniProt ID
Q21A49
Protein Name
Aldehyde dehydrogenase
Ligand Name
propionyl Coenzyme A
DrugBank ID
DB02912
PDB Ligand Accession
1VU
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QAQREVBBADEHPA-IEXPHMLFSA-N
SMILES
CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 5JFM
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Color Legend
Unassigned regionsLigand / hetero atomse5jfmA1e5jfmA2e5jfmB1e5jfmB2e5jfmC1e5jfmC2e5jfmD1e5jfmD2e5jfmE1e5jfmE2e5jfmF1e5jfmF2e5jfmG1e5jfmG2e5jfmH1e5jfmH2
ECOD domains from experimental PDB structures interacting with ligand DB02912
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q21A49DB029121VU5jfme5jfmA1A:299-524
Q21A49DB029121VU5jfme5jfmA2A:86-298
Q21A49DB029121VU5jfme5jfmC1C:299-524
Q21A49DB029121VU5jfme5jfmC2C:86-298
Q21A49DB029121VU5jfme5jfmD1D:299-524
Q21A49DB029121VU5jfme5jfmD2D:86-298
Q21A49DB029121VU5jfme5jfmE1E:86-298
Q21A49DB029121VU5jfme5jfmE2E:299-524
Q21A49DB029121VU5jfme5jfmF1F:299-524
Q21A49DB029121VU5jfme5jfmF2F:43-54,F:85-298
Q21A49DB029121VU5jfme5jfmG1G:299-524
Q21A49DB029121VU5jfme5jfmG2G:86-298
Q21A49DB029121VU5jfme5jfmH1H:299-524
Q21A49DB029121VU5jfme5jfmH2H:84-298
Q21A49DB029121VU5jfne5jfnA1A:299-524
Q21A49DB029121VU5jfne5jfnA2A:86-298