Ligand name: 2-ACETYL-THIAMINE DIPHOSPHATE
PDB ligand accession: HTL
DrugBank: DB02410
PubChem: 4369479
ChEMBL: n/a
InChI Key: GYRGKLZCJRVYRV-UHFFFAOYSA-O
SMILES: Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)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
2UZA Download Experimental e2uzaA4
e2uzaA5
e2uzaB5
e2uzaB4
e2uzaA5
e2uzaB5
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
2C3Y Download Experimental e2c3yA4
e2c3yA6
e2c3yB5
e2c3yB4
e2c3yA6
e2c3yB5
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
1KEK Download Experimental e1kekA4
e1kekA6
e1kekB6
e1kekB4
e1kekA6
e1kekB6
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