DrugDomain logoDrugDomain

Attributes

UniProt ID
Q39R98
Protein Name
Glyoxalate/3-oxopropanoate/4-oxobutanoate reductase
Ligand Name
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
DrugBank ID
DB03461
PDB Ligand Accession
NAP
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)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: 3PEF
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Color Legend
Unassigned regionsLigand / hetero atomse3pefA1e3pefA2e3pefB1e3pefB2e3pefC1e3pefC2e3pefD2e3pefD3e3pefE1e3pefE2e3pefF2e3pefF3e3pefG1e3pefG2e3pefH2e3pefH3
ECOD domains from experimental PDB structures interacting with ligand DB03461
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q39R98DB03461NAP3pefe3pefA1A:163-287
Q39R98DB03461NAP3pefe3pefA2A:1-162
Q39R98DB03461NAP3pefe3pefB1B:163-287
Q39R98DB03461NAP3pefe3pefB2B:1-162
Q39R98DB03461NAP3pefe3pefC1C:163-287
Q39R98DB03461NAP3pefe3pefC2C:1-162
Q39R98DB03461NAP3pefe3pefD2D:1-162
Q39R98DB03461NAP3pefe3pefD3D:163-286
Q39R98DB03461NAP3pefe3pefE1E:163-286
Q39R98DB03461NAP3pefe3pefE2E:1-162
Q39R98DB03461NAP3pefe3pefF2F:2-162
Q39R98DB03461NAP3pefe3pefF3F:163-286
Q39R98DB03461NAP3pefe3pefG1G:163-287
Q39R98DB03461NAP3pefe3pefG2G:1-162
Q39R98DB03461NAP3pefe3pefH2H:2-162
Q39R98DB03461NAP3pefe3pefH3H:163-287