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 |
|---|---|---|---|---|---|
| 4FR8 | Download | Experimental | e4fr8A1 e4fr8A2 e4fr8C1 e4fr8C2 e4fr8D1 e4fr8D2 e4fr8F1 e4fr8F2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 1O01 | Download | Experimental | e1o01A1 e1o01A2 e1o01B1 e1o01B2 e1o01C1 e1o01C2 e1o01D1 e1o01D2 e1o01E1 e1o01E2 e1o01F1 e1o01F2 e1o01G1 e1o01G2 e1o01H1 e1o01H2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 1CW3 | Download | Experimental | e1cw3A1 e1cw3A2 e1cw3B1 e1cw3B2 e1cw3C1 e1cw3C2 e1cw3D1 e1cw3D2 e1cw3E1 e1cw3E2 e1cw3F1 e1cw3F2 e1cw3G1 e1cw3G2 e1cw3H1 e1cw3H2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 2ONP | Download | Experimental | e2onpA1 e2onpA2 e2onpB1 e2onpB2 e2onpC1 e2onpC2 e2onpD1 e2onpD2 e2onpE1 e2onpE2 e2onpF1 e2onpF2 e2onpG1 e2onpG2 e2onpH1 e2onpH2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 4FQF | Download | Experimental | e4fqfA1 e4fqfA2 e4fqfB1 e4fqfB2 e4fqfC1 e4fqfC2 e4fqfD1 e4fqfD2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 8DR9 | Download | Experimental | e8dr9A1 e8dr9A2 e8dr9B1 e8dr9B2 | ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 1O04 | Download | Experimental | e1o04A2 e1o04A3 e1o04B1 e1o04B2 e1o04C1 e1o04C2 e1o04D1 e1o04D2 e1o04E1 e1o04E2 e1o04F1 e1o04F2 e1o04G1 e1o04G2 e1o04H1 e1o04H2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 2ONM | Download | Experimental | e2onmB1 e2onmB2 e2onmC1 e2onmC2 e2onmF1 e2onmF2 e2onmG1 e2onmG2 e2onmH1 e2onmH2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 1O00 | Download | Experimental | e1o00A1 e1o00A2 e1o00B1 e1o00B2 e1o00C1 e1o00C2 e1o00D1 e1o00D2 e1o00E1 e1o00E2 e1o00F1 e1o00F2 e1o00G1 e1o00G2 e1o00H1 e1o00H2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 3N82 | Download | Experimental | e3n82A1 e3n82A2 e3n82B1 e3n82B2 e3n82C1 e3n82C2 e3n82D1 e3n82D2 e3n82E1 e3n82E2 e3n82F1 e3n82F2 e3n82G1 e3n82G2 e3n82H1 e3n82H2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 1NZX | Download | Experimental | e1nzxA1 e1nzxA2 e1nzxB1 e1nzxB2 e1nzxC1 e1nzxC2 e1nzxD1 e1nzxD2 e1nzxE1 e1nzxE2 e1nzxF1 e1nzxF2 e1nzxG1 e1nzxG2 e1nzxH1 e1nzxH2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |