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 |
---|---|---|---|---|---|
2E37 | Download | Experimental | e2e37A2 e2e37A3 e2e37C3 e2e37C2 e2e37E3 e2e37E2 e2e37G3 e2e37G2 | Rossmann-like LDH C-terminal domain-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like | LigPlot |
2V7P | Download | Experimental | e2v7pA3 e2v7pA2 e2v7pB3 e2v7pB2 e2v7pC3 e2v7pC2 e2v7pD3 e2v7pD2 | LDH C-terminal domain-like Rossmann-like Rossmann-like LDH C-terminal domain-like LDH C-terminal domain-like Rossmann-like Rossmann-like LDH C-terminal domain-like | LigPlot |
2XXJ | Download | Experimental | e2xxjB3 e2xxjB2 e2xxjD3 e2xxjD2 | LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like | LigPlot |