PDB ligand accession: NAD
DrugBank: DB14128
PubChem: 5892;5288979;10897651;73415790;
ChEMBL:
InChI Key: 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: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: (5'->5')-dinucleotides
- Subclass: None
- Class: (5'->5')-dinucleotides
- Superclass: Nucleosides, nucleotides, and analogues
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 3PTZ | Download | Experimental | e3ptzA1 e3ptzA2 e3ptzA3 e3ptzB1 e3ptzB2 e3ptzB3 e3ptzC1 e3ptzC2 e3ptzC3 e3ptzD1 e3ptzD2 e3ptzD3 e3ptzE1 e3ptzE2 e3ptzE3 e3ptzF1 e3ptzF2 e3ptzF3 | 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like | LigPlot |
| 2QG4 | Download | Experimental | e2qg4A3 e2qg4B1 e2qg4B2 e2qg4B3 e2qg4C1 e2qg4D1 e2qg4D2 e2qg4D3 e2qg4E1 e2qg4F1 e2qg4F2 e2qg4F3 e2qg4G3 e2qg4H1 e2qg4H2 e2qg4H3 | Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like | LigPlot |
| 6C4J | Download | Experimental | e6c4jA1 e6c4jA2 e6c4jA3 e6c4jB1 e6c4jB2 e6c4jB3 e6c4jC2 e6c4jC3 e6c4jD1 e6c4jD2 e6c4jD3 e6c4jE1 e6c4jE2 e6c4jE3 e6c4jF1 e6c4jF2 e6c4jF3 e6c4jG1 e6c4jG2 e6c4jG3 e6c4jH2 e6c4jH3 e6c4jI1 e6c4jI2 e6c4jI3 e6c4jJ1 e6c4jJ2 e6c4jJ3 e6c4jK1 e6c4jK3 e6c4jL1 e6c4jL2 e6c4jL3 | Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like | LigPlot |
| 3TDK | Download | Experimental | e3tdkA1 e3tdkA2 e3tdkA3 e3tdkB1 e3tdkB2 e3tdkB3 e3tdkG1 e3tdkG2 e3tdkG3 e3tdkH1 e3tdkH2 e3tdkH3 e3tdkL1 e3tdkL2 e3tdkL3 e3tdkK1 e3tdkK2 e3tdkK3 e3tdkF1 e3tdkF2 e3tdkF3 e3tdkE1 e3tdkE2 e3tdkE3 e3tdkD1 e3tdkD2 e3tdkD3 e3tdkC1 e3tdkC2 e3tdkC3 e3tdkJ1 e3tdkJ2 e3tdkJ3 e3tdkI1 e3tdkI2 e3tdkI3 | Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like | LigPlot |