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: inhibitor
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 |
|---|---|---|---|---|---|
| 1NFB | Download | Experimental | e1nfbA3 e1nfbB3 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 8FOZ | Download | Experimental | e8fozA1 e8fozD1 e8fozA1 e8fozB1 e8fozB1 e8fozC1 e8fozC1 e8fozD1 e8fozE1 e8fozH1 e8fozE1 e8fozF1 e8fozF1 e8fozG1 e8fozG1 e8fozH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 6UA5 | Download | Experimental | e6ua5A1 e6ua5D1 e6ua5A1 e6ua5B1 e6ua5B1 e6ua5C1 e6ua5C1 e6ua5D1 e6ua5E1 e6ua5H1 e6ua5E1 e6ua5F1 e6ua5F1 e6ua5G1 e6ua5G1 e6ua5H1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 6UA2 | Download | Experimental | e6ua2A1 e6ua2D1 e6ua2A1 e6ua2B1 e6ua2B1 e6ua2C1 e6ua2C1 e6ua2D1 e6ua2E1 e6ua2H1 e6ua2E1 e6ua2F1 e6ua2F1 e6ua2G1 e6ua2G1 e6ua2H1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 6U9O | Download | Experimental | e6u9oA1 e6u9oD1 e6u9oA1 e6u9oB1 e6u9oB1 e6u9oC1 e6u9oC1 e6u9oD1 e6u9oE1 e6u9oH1 e6u9oE1 e6u9oF1 e6u9oF1 e6u9oG1 e6u9oG1 e6u9oH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 6U8R | Download | Experimental | e6u8rA1 e6u8rB1 e6u8rB1 e6u8rC1 e6u8rC1 e6u8rD1 e6u8rA1 e6u8rD1 e6u8rE1 e6u8rF1 e6u8rF1 e6u8rG1 e6u8rG1 e6u8rH1 e6u8rE1 e6u8rH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 6U8E | Download | Experimental | e6u8eA1 e6u8eD1 e6u8eA1 e6u8eB1 e6u8eB1 e6u8eC1 e6u8eC1 e6u8eD1 e6u8eE1 e6u8eH1 e6u8eE1 e6u8eF1 e6u8eF1 e6u8eG1 e6u8eG1 e6u8eH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 6U8S | Download | Experimental | e6u8sA1 e6u8sD1 e6u8sA1 e6u8sB1 e6u8sB1 e6u8sC1 e6u8sC1 e6u8sD1 e6u8sE1 e6u8sH1 e6u8sE1 e6u8sF1 e6u8sF1 e6u8sG1 e6u8sG1 e6u8sH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 6UA4 | Download | Experimental | e6ua4A1 e6ua4D1 e6ua4A1 e6ua4B1 e6ua4B1 e6ua4C1 e6ua4C1 e6ua4D1 e6ua4E1 e6ua4H1 e6ua4E1 e6ua4F1 e6ua4F1 e6ua4G1 e6ua4G1 e6ua4H1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 8FUZ | Download | Experimental | e8fuzA1 e8fuzD1 e8fuzA1 e8fuzB1 e8fuzB1 e8fuzC1 e8fuzC1 e8fuzD1 e8fuzE1 e8fuzH1 e8fuzE1 e8fuzF1 e8fuzF1 e8fuzG1 e8fuzG1 e8fuzH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 6UAJ | Download | Experimental | e6uajA1 e6uajD1 e6uajA1 e6uajB1 e6uajB1 e6uajC1 e6uajC1 e6uajD1 e6uajE1 e6uajH1 e6uajE1 e6uajF1 e6uajF1 e6uajG1 e6uajG1 e6uajH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 6U8N | Download | Experimental | e6u8nA1 e6u8nB1 e6u8nB1 e6u8nC1 e6u8nC1 e6u8nD1 e6u8nA1 e6u8nD1 e6u8nE1 e6u8nF1 e6u8nF1 e6u8nG1 e6u8nG1 e6u8nH1 e6u8nE1 e6u8nH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |