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 |
---|---|---|---|---|---|
7BVP | Download | Experimental | e7bvpA2 e7bvpA4 e7bvpB2 e7bvpB4 e7bvpC2 e7bvpC4 e7bvpD2 e7bvpD4 e7bvpE2 e7bvpE4 e7bvpF2 e7bvpF4 | alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like | LigPlot |
6SCG | Download | Experimental | e6scgA1 e6scgA2 e6scgB1 e6scgB2 | alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like | LigPlot |
6TQH | Download | Experimental | e6tqhA1 e6tqhA3 e6tqhB2 e6tqhB4 | ALDH-like ALDH-like alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like | LigPlot |