Ligand name: THIAMINE DIPHOSPHATE
PDB ligand accession: TPP
DrugBank: n/a
PubChem: 1132
ChEMBL: CHEMBL1236376
InChI Key: AYEKOFBPNLCAJY-UHFFFAOYSA-O
SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein P94692

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
1B0P Download Experimental e1b0pA4
e1b0pA6
e1b0pB4
e1b0pB5
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
LigPlot
2C42 Download Experimental e2c42A4
e2c42A7
e2c42B4
e2c42B6
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
LigPlot
2C3O Download Experimental e2c3oA4
e2c3oA5
e2c3oB4
e2c3oB6
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
LigPlot
2PDA Download Experimental e2pdaA4
e2pdaA5
e2pdaB4
e2pdaB6
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
LigPlot
7PLM Download Experimental e7plmA2
e7plmA6
e7plmB5
e7plmA6
e7plmB4
e7plmB5
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
LigPlot
2C3M Download Experimental e2c3mA4
e2c3mA6
e2c3mB4
e2c3mB5
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
Thiamin diphosphate-binding fold (THDP-binding)
LigPlot