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Attributes

UniProt ID
P56533
Protein Name
4-trimethylaminobutyraldehyde dehydrogenase
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: 1BPW
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Color Legend
Unassigned regionsLigand / hetero atomse1bpwA1e1bpwA2e1bpwB1e1bpwB2e1bpwC1e1bpwC2e1bpwD1e1bpwD2
ECOD domains from experimental PDB structures interacting with ligand DB14128
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56533DB14128NAD1bpwe1bpwA1A:266-503
P56533DB14128NAD1bpwe1bpwA2A:1-265
P56533DB14128NAD1bpwe1bpwB1B:266-503
P56533DB14128NAD1bpwe1bpwB2B:1-265
P56533DB14128NAD1bpwe1bpwC1C:266-503
P56533DB14128NAD1bpwe1bpwC2C:1-265
P56533DB14128NAD1bpwe1bpwD1D:1-265
P56533DB14128NAD1bpwe1bpwD2D:266-503