PDB ligand accession: C2E
DrugBank: n/a
PubChem: 5287531;6323195;135440063;
ChEMBL:
InChI Key: PKFDLKSEZWEFGL-MHARETSRSA-N
SMILES: c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: (3'->5')-dinucleotides and analogues
- Subclass: (3'->5')-cyclic dinucleotides and analogues
- Class: (3'->5')-dinucleotides and analogues
- Superclass: Nucleosides, nucleotides, and analogues
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7U3A | Download | Experimental | e7u3aA3 e7u3aB1 e7u3aB2 e7u3aA1 e7u3aA2 e7u3aA3 e7u3aB3 e7u3aC2 e7u3aD1 e7u3aD3 e7u3aC1 e7u3aC3 e7u3aD2 | Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich | LigPlot |
7U3B | Download | Experimental | e7u3bC1 e7u3bH1 e7u3bH2 e7u3bF1 e7u3bD1 e7u3bD3 e7u3bE2 e7u3bE3 e7u3bI2 e7u3bI3 e7u3bF2 e7u3bF3 e7u3bD2 e7u3bG1 e7u3bG2 e7u3bJ2 e7u3bJ3 e7u3bC2 e7u3bC3 e7u3bH3 e7u3bE1 e7u3bE3 e7u3bI1 e7u3bG1 e7u3bG2 e7u3bG3 e7u3bJ1 | Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel TIM beta/alpha-barrel Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich | LigPlot |
7U3D | Download | Experimental | e7u3dA2 e7u3dF1 e7u3dF2 e7u3dA1 e7u3dA3 e7u3dF3 e7u3dB1 e7u3dC2 e7u3dC3 e7u3dB2 e7u3dB3 e7u3dC1 | Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich | LigPlot |