DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
NAD/NADP-dependent betaine aldehyde dehydrogenase
Ligand Name
[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FDIVXUDDFSHSAE-MTKBYBFRSA-L
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CC(CC=C5)C(=O)N)O)O)O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4CAZ
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Color Legend
Unassigned regionsLigand / hetero atomse4cazA1e4cazA2e4cazB1e4cazB2
ECOD domains from experimental PDB structures interacting with ligand TXE
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q9HTJ1n/aTXE4caze4cazA1A:255-490
Q9HTJ1n/aTXE4caze4cazA2A:2-254
Q9HTJ1n/aTXE4caze4cazB1B:2-254
Q9HTJ1n/aTXE4caze4cazB2B:255-490