Ligand name: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
PDB ligand accession: AGS
DrugBank: DB02930
PubChem: 440317;444377;
ChEMBL: CHEMBL131890
InChI Key: NLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein P38251

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
8FS7 Download Experimental e8fs7D1
e8fs7D3
e8fs7E1
e8fs7E3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
LigPlot
8DR3 Download Experimental e8dr3D1
e8dr3D2
e8dr3E2
e8dr3E3
P-loop domains-like
Histone-like
Histone-like
P-loop domains-like
LigPlot
8DR1 Download Experimental e8dr1D2
e8dr1D3
e8dr1E1
e8dr1E3
P-loop domains-like
Histone-like
Histone-like
P-loop domains-like
LigPlot
8DR7 Download Experimental e8dr7D1
e8dr7D2
e8dr7E1
e8dr7E3
P-loop domains-like
Histone-like
Histone-like
P-loop domains-like
LigPlot
8FS8 Download Experimental e8fs8D2
e8fs8D3
e8fs8E2
e8fs8E3
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
LigPlot
8FS4 Download Experimental e8fs4D2
e8fs4D3
e8fs4E1
e8fs4E3
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
LigPlot
8DQZ Download Experimental e8dqzD2
e8dqzD3
e8dqzE2
e8dqzE3
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7TFH Download Experimental e7tfhD1
e7tfhD3
e7tfhE2
e7tfhE3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
LigPlot
8DR5 Download Experimental e8dr5D1
e8dr5D3
e8dr5E1
e8dr5E3
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7TFJ Download Experimental e7tfjD2
e7tfjD3
e7tfjE1
e7tfjE3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
LigPlot
7U19 Download Experimental e7u19D1
e7u19D3
e7u19E1
e7u19E2
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
LigPlot
7TKU Download Experimental e7tkuD2
e7tkuD3
e7tkuE1
e7tkuE2
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
LigPlot
7TIB Download Experimental e7tibD1
e7tibD2
e7tibE2
e7tibE3
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8DQW Download Experimental e8dqwD2
e8dqwD3
e8dqwE2
e8dqwE3
P-loop domains-like
Histone-like
Histone-like
P-loop domains-like
LigPlot
7SGZ Download Experimental e7sgzE1
e7sgzE2
e7sgzD1
e7sgzD2
P-loop domains-like
Histone-like
Histone-like
P-loop domains-like
LigPlot
7SH2 Download Experimental e7sh2D1
e7sh2D3
e7sh2E1
e7sh2E2
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7TFL Download Experimental e7tflD1
e7tflD2
e7tflE1
e7tflE2
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
LigPlot
7TFK Download Experimental e7tfkD1
e7tfkD2
e7tfkE1
e7tfkE2
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8DR6 Download Experimental e8dr6D2
e8dr6D3
e8dr6E1
e8dr6E2
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
LigPlot
7U1A Download Experimental e7u1aD2
e7u1aD3
e7u1aE2
e7u1aE3
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
LigPlot
8FS5 Download Experimental e8fs5D2
e8fs5D3
e8fs5E2
e8fs5E3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
LigPlot
7TID Download Experimental e7tidD1
e7tidD3
e7tidE2
e7tidE3
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
LigPlot
7TI8 Download Experimental e7ti8D1
e7ti8D3
e7ti8E2
e7ti8E3
P-loop domains-like
Histone-like
Histone-like
P-loop domains-like
LigPlot
7ST9 Download Experimental e7st9D2
e7st9D3
e7st9E1
e7st9E2
P-loop domains-like
Histone-like
Histone-like
P-loop domains-like
LigPlot
8DR4 Download Experimental e8dr4D1
e8dr4D3
e8dr4E1
e8dr4E2
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7STB Download Experimental e7stbD1
e7stbD2
e7stbE1
e7stbE2
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7TFI Download Experimental e7tfiD1
e7tfiD3
e7tfiE1
e7tfiE3
P-loop domains-like
Histone-like
Histone-like
P-loop domains-like
LigPlot
8FS3 Download Experimental e8fs3D1
e8fs3D3
e8fs3E1
e8fs3E3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
LigPlot
7U1P Download Experimental e7u1pD1
e7u1pD2
e7u1pE2
e7u1pE3
P-loop domains-like
Histone-like
Histone-like
P-loop domains-like
LigPlot
7THV Download Experimental e7thvD1
e7thvD3
e7thvE2
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8FS6 Download Experimental e8fs6D1
e8fs6D3
e8fs6E2
e8fs6E3
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8DR0 Download Experimental e8dr0D1
e8dr0D3
e8dr0E1
e8dr0E3
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7TIC Download Experimental e7ticD1
e7ticD2
e7ticE1
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8DQX Download Experimental e8dqxD2
e8dqxD3
e8dqxE1
e8dqxE3
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
1SXJ Download Experimental e1sxjE5
e1sxjE6
e1sxjD4
e1sxjD5
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
LigPlot
7THJ Download Experimental e7thjE1
e7thjD1
e7thjD3
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot