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 P38629

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
8FS7 Download Experimental e8fs7B1
e8fs7B3
e8fs7C3
e8fs7C2
e8fs7C3
e8fs7D3
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
8DR3 Download Experimental e8dr3B2
e8dr3B3
e8dr3C2
e8dr3C1
e8dr3C2
e8dr3D1
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
8DR1 Download Experimental e8dr1B1
e8dr1B3
e8dr1C1
e8dr1C1
e8dr1C3
e8dr1D2
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8DR7 Download Experimental e8dr7B1
e8dr7B2
e8dr7C1
e8dr7C1
e8dr7C2
e8dr7D1
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8FS8 Download Experimental e8fs8B1
e8fs8B3
e8fs8C1
e8fs8C1
e8fs8C2
e8fs8D2
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8FS4 Download Experimental e8fs4B1
e8fs4B3
e8fs4C3
e8fs4C1
e8fs4C3
e8fs4D2
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
8DQZ Download Experimental e8dqzB1
e8dqzB3
e8dqzC3
e8dqzC2
e8dqzC3
e8dqzD3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7TFH Download Experimental e7tfhB1
e7tfhB2
e7tfhC1
e7tfhC1
e7tfhC2
e7tfhD3
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8DR5 Download Experimental e8dr5B2
e8dr5B3
e8dr5C2
e8dr5C1
e8dr5C2
e8dr5D3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7TFJ Download Experimental e7tfjB2
e7tfjB3
e7tfjC3
e7tfjC2
e7tfjC3
e7tfjD3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7U19 Download Experimental e7u19B1
e7u19B3
e7u19C1
e7u19C1
e7u19C3
e7u19D3
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7TKU Download Experimental e7tkuB1
e7tkuB3
e7tkuC3
e7tkuC1
e7tkuC3
e7tkuD3
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7TIB Download Experimental e7tibB1
e7tibB3
e7tibC2
e7tibD2
e7tibC1
e7tibC2
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8DQW Download Experimental e8dqwB1
e8dqwB2
e8dqwC3
e8dqwC2
e8dqwC3
e8dqwD2
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7SGZ Download Experimental e7sgzB1
e7sgzB3
e7sgzC1
e7sgzC1
e7sgzC2
e7sgzD2
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7SH2 Download Experimental e7sh2B1
e7sh2B3
e7sh2C2
e7sh2C1
e7sh2C2
e7sh2D3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7TFL Download Experimental e7tflB1
e7tflB2
e7tflC1
e7tflC1
e7tflC2
e7tflD1
Histone-like
P-loop domains-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7TFK Download Experimental e7tfkB1
e7tfkB3
e7tfkC2
e7tfkC2
e7tfkC3
e7tfkD2
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8DR6 Download Experimental e8dr6B1
e8dr6B2
e8dr6C3
e8dr6C2
e8dr6C3
e8dr6D2
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7U1A Download Experimental e7u1aC1
e7u1aC3
e7u1aD2
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
8FS5 Download Experimental e8fs5B1
e8fs5B3
e8fs5C3
e8fs5C1
e8fs5C3
e8fs5D3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7TID Download Experimental e7tidB1
e7tidB3
e7tidC2
e7tidC1
e7tidC2
e7tidD1
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7TI8 Download Experimental e7ti8C2
e7ti8B1
e7ti8B2
e7ti8C2
e7ti8C3
e7ti8D1
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7ST9 Download Experimental e7st9B1
e7st9B3
e7st9C1
e7st9D2
e7st9C1
e7st9C3
Histone-like
P-loop domains-like
P-loop domains-like
P-loop domains-like
P-loop domains-like
Histone-like
LigPlot
8DR4 Download Experimental e8dr4B1
e8dr4B2
e8dr4C1
e8dr4C1
e8dr4C3
e8dr4D3
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7STB Download Experimental e7stbC2
e7stbB1
e7stbB2
e7stbC1
e7stbC2
e7stbD2
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7TFI Download Experimental e7tfiB2
e7tfiB3
e7tfiC3
e7tfiC2
e7tfiC3
e7tfiD1
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
8FS3 Download Experimental e8fs3B2
e8fs3B3
e8fs3C3
e8fs3C1
e8fs3C3
e8fs3D3
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7U1P Download Experimental e7u1pC1
e7u1pC3
e7u1pD1
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7THV Download Experimental e7thvB2
e7thvB3
e7thvC2
e7thvC2
e7thvC3
e7thvD1
Histone-like
P-loop domains-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8FS6 Download Experimental e8fs6B1
e8fs6B2
e8fs6C1
e8fs6C1
e8fs6C2
e8fs6D3
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8DR0 Download Experimental e8dr0B1
e8dr0B3
e8dr0C2
e8dr0C1
e8dr0C2
e8dr0D3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
7TIC Download Experimental e7ticB2
e7ticB3
e7ticC2
e7ticC1
e7ticC2
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
8DQX Download Experimental e8dqxB2
e8dqxB3
e8dqxC3
e8dqxC1
e8dqxC3
e8dqxD3
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
P-loop domains-like
LigPlot
1SXJ Download Experimental e1sxjB3
e1sxjC5
e1sxjB2
e1sxjC5
e1sxjC6
e1sxjD4
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot
7THJ Download Experimental e7thjB1
e7thjB3
e7thjC3
e7thjC2
e7thjC3
Histone-like
P-loop domains-like
P-loop domains-like
Histone-like
P-loop domains-like
LigPlot