DrugDomain logoDrugDomain

Attributes

UniProt ID
Q4KTQ7
Protein Name
aldehyde 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

Interactive Mol* view for the current protein-molecule pair.

Mol*
Structure: 2JG7
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Color Legend
Unassigned regionsLigand / hetero atomse2jg7A1e2jg7A2e2jg7B1e2jg7B2e2jg7C1e2jg7C2e2jg7D1e2jg7D2e2jg7E1e2jg7E2e2jg7F1e2jg7F2e2jg7G1e2jg7G2e2jg7H1e2jg7H2
ECOD domains from experimental PDB structures interacting with ligand DB14128
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q4KTQ7DB14128NAD2jg7e2jg7A1A:270-509
Q4KTQ7DB14128NAD2jg7e2jg7A2A:1-269
Q4KTQ7DB14128NAD2jg7e2jg7B1B:270-509
Q4KTQ7DB14128NAD2jg7e2jg7B2B:1-269
Q4KTQ7DB14128NAD2jg7e2jg7C1C:270-509
Q4KTQ7DB14128NAD2jg7e2jg7C2C:1-269
Q4KTQ7DB14128NAD2jg7e2jg7D1D:270-509
Q4KTQ7DB14128NAD2jg7e2jg7D2D:1-269
Q4KTQ7DB14128NAD2jg7e2jg7E1E:270-509
Q4KTQ7DB14128NAD2jg7e2jg7E2E:1-269
Q4KTQ7DB14128NAD2jg7e2jg7F1F:270-509
Q4KTQ7DB14128NAD2jg7e2jg7F2F:1-269
Q4KTQ7DB14128NAD2jg7e2jg7G1G:1-269
Q4KTQ7DB14128NAD2jg7e2jg7G2G:270-509
Q4KTQ7DB14128NAD2jg7e2jg7H1H:1-269
Q4KTQ7DB14128NAD2jg7e2jg7H2H:270-509