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Attributes

UniProt ID
P00352
Protein Name
Aldehyde dehydrogenase 1A1
Ligand Name
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
DrugBank ID
DB14128
PDB Ligand Accession
NAD
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Mol*
Structure: 7UM9
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Color Legend
Unassigned regionsLigand / hetero atomse7um9A1e7um9A2
ECOD domains from experimental PDB structures interacting with ligand DB14128
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P00352DB14128NAD7um9e7um9A1A:8-271
P00352DB14128NAD7um9e7um9A2A:272-501
P00352DB14128NAD8enee8eneA1A:272-501
P00352DB14128NAD8enee8eneA2A:9-271
P00352DB14128NAD8enee8eneB1B:9-271
P00352DB14128NAD8enee8eneB2B:272-501
P00352DB14128NAD8enee8eneC1C:272-501
P00352DB14128NAD8enee8eneC2C:9-271
P00352DB14128NAD8enee8eneD1D:9-271
P00352DB14128NAD8enee8eneD2D:272-501