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 |
---|---|---|---|---|---|
5MGB | Download | Experimental | e5mgbA3 e5mgbA4 e5mgbA3 e5mgbA4 e5mgbB3 | 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like | LigPlot |
3ZW9 | Download | Experimental | e3zw9A13 e3zw9B13 e3zw9A13 e3zw9A16 | Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like | LigPlot |
6Z5F | Download | Experimental | e6z5fAAA1 e6z5fAAA3 e6z5fBBB1 | Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like | LigPlot |
6Z5V | Download | Experimental | e6z5vAAA4 e6z5vAAA2 e6z5vBBB2 | Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like | LigPlot |
6Z5O | Download | Experimental | e6z5oAAA3 | Rossmann-like | LigPlot |
3ZWC | Download | Experimental | e3zwcA13 e3zwcB13 e3zwcA13 e3zwcA16 | Rossmann-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like | LigPlot |