DrugDomain logoDrugDomain

Attributes

UniProt ID
Q9HTJ1
Protein Name
NAD/NADP-dependent betaine aldehyde dehydrogenase
Ligand Name
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
DrugBank ID
DB02338
PDB Ligand Accession
NDP
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ACFIXJIJDZMPPO-NNYOXOHSSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)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: 2WOX
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Color Legend
Unassigned regionsLigand / hetero atomse2woxA1e2woxA2e2woxB1e2woxB2e2woxC1e2woxC2e2woxD1e2woxD2
ECOD domains from experimental PDB structures interacting with ligand DB02338
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q9HTJ1DB02338NDP2woxe2woxA1A:2-254
Q9HTJ1DB02338NDP2woxe2woxA2A:255-490
Q9HTJ1DB02338NDP2woxe2woxB1B:255-490
Q9HTJ1DB02338NDP2woxe2woxB2B:2-254
Q9HTJ1DB02338NDP2woxe2woxC1C:255-490
Q9HTJ1DB02338NDP2woxe2woxC2C:2-254
Q9HTJ1DB02338NDP2woxe2woxD1D:255-490
Q9HTJ1DB02338NDP2woxe2woxD2D:2-254
Q9HTJ1DB02338NDP2xdre2xdrA2A:2-254
Q9HTJ1DB02338NDP2xdre2xdrB2B:2-254
Q9HTJ1DB02338NDP2xdre2xdrC1C:2-254
Q9HTJ1DB02338NDP2xdre2xdrD2D:2-254
Q9HTJ1DB02338NDP3zqae3zqaA1A:255-490
Q9HTJ1DB02338NDP3zqae3zqaA2A:2-254
Q9HTJ1DB02338NDP3zqae3zqaB1B:2-254
Q9HTJ1DB02338NDP3zqae3zqaB2B:255-490
Q9HTJ1DB02338NDP3zqae3zqaC1C:255-490
Q9HTJ1DB02338NDP3zqae3zqaC2C:2-254
Q9HTJ1DB02338NDP3zqae3zqaD1D:2-254
Q9HTJ1DB02338NDP3zqae3zqaD2D:255-490