Ligand name: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
PDB ligand accession: C2E
DrugBank: n/a
PubChem: 5287531;6323195;135440063;
ChEMBL: CHEMBL1231573
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:

List of PDB structures and/or AlphaFold models with target protein A0A5P2ALW6

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