DrugDomain logoDrugDomain

Attributes

UniProt ID
Q2YRI3
Protein Name
Aldehyde dehydrogenase
Ligand Name
2-(N-MORPHOLINO)-ETHANESULFONIC ACID
DrugBank ID
DB03814
PDB Ligand Accession
MES
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SXGZJKUKBWWHRA-UHFFFAOYSA-N
SMILES
C1COCC[NH+]1CCS(=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: 3EK1
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Color Legend
Unassigned regionsLigand / hetero atomse3ek1A1e3ek1A2e3ek1B1e3ek1B2e3ek1C1e3ek1C2e3ek1D1e3ek1D2e3ek1E1e3ek1E2e3ek1F1e3ek1F2e3ek1G1e3ek1G2e3ek1H1e3ek1H2
ECOD domains from experimental PDB structures interacting with ligand DB03814
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q2YRI3DB03814MES3ek1e3ek1A1A:259-483
Q2YRI3DB03814MES3ek1e3ek1A2A:-1-258
Q2YRI3DB03814MES3ek1e3ek1B1B:1-258
Q2YRI3DB03814MES3ek1e3ek1B2B:259-483
Q2YRI3DB03814MES3ek1e3ek1C1C:259-483
Q2YRI3DB03814MES3ek1e3ek1C2C:1-258
Q2YRI3DB03814MES3ek1e3ek1D1D:259-483
Q2YRI3DB03814MES3ek1e3ek1D2D:1-258
Q2YRI3DB03814MES3ek1e3ek1E1E:1-258
Q2YRI3DB03814MES3ek1e3ek1E2E:259-483
Q2YRI3DB03814MES3ek1e3ek1F1F:259-483
Q2YRI3DB03814MES3ek1e3ek1F2F:1-258
Q2YRI3DB03814MES3ek1e3ek1G1G:2-258
Q2YRI3DB03814MES3ek1e3ek1G2G:259-483
Q2YRI3DB03814MES3ek1e3ek1H1H:259-483
Q2YRI3DB03814MES3ek1e3ek1H2H:1-258