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Attributes

UniProt ID
A7UD81
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
DrugBank ID
DB02338
PDB Ligand Accession
NDP
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ACFIXJIJDZMPPO-NNYOXOHSSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)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: 3QGT
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Color Legend
Unassigned regionsLigand / hetero atomse3qgtA2e3qgtA4e3qgtB2e3qgtB3
ECOD domains from experimental PDB structures interacting with ligand DB02338
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
A7UD81DB02338NDP3qgte3qgtA4A:1-231
A7UD81DB02338NDP3qgte3qgtB2B:1-231
A7UD81DB02338NDP3um5e3um5A2A:1-231
A7UD81DB02338NDP3um5e3um5B5B:4-231
A7UD81DB02338NDP3um6e3um6A6A:1-231
A7UD81DB02338NDP3um6e3um6B5B:4-231
A7UD81DB02338NDP3um8e3um8A6A:1-231
A7UD81DB02338NDP3um8e3um8B2B:1-231
A7UD81DB02338NDP7ctwe7ctwA2A:3-231
A7UD81DB02338NDP7ctwe7ctwB1B:10-231
A7UD81DB02338NDP7ctye7ctyA1A:4-231
A7UD81DB02338NDP7ctze7ctzA1A:2-229
A7UD81DB02338NDP7ctze7ctzB1B:4-231
A7UD81DB02338NDP7f3ye7f3yA2A:1-231
A7UD81DB02338NDP7f3ye7f3yB2B:1-231