Ligand name: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL
PDB ligand accession: BTI
DrugBank: DB07497
PubChem: 11840927
ChEMBL: n/a
InChI Key: ARDNWGMSCXSPBF-CIUDSAMLSA-N
SMILES: C1C2C(C(S1)CCCCC=O)NC(=O)N2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Biotin and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein C5AWU5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8PN8	Download	Experimental	e8pn8A2 e8pn8B1 e8pn8G2 e8pn8C2 e8pn8D1 e8pn8H2 e8pn8E1 e8pn8F2 e8pn8I2 e8pn8A1 e8pn8B2 e8pn8J2 e8pn8E1 e8pn8E2 e8pn8F1 e8pn8K2 e8pn8C1 e8pn8D2 e8pn8L2	ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
6YBQ	Download	Experimental	e6ybqA1 e6ybqB2 e6ybqG1 e6ybqC2 e6ybqD2 e6ybqH1 e6ybqE1 e6ybqF1 e6ybqI1 e6ybqA2 e6ybqB1 e6ybqJ1 e6ybqE1 e6ybqE2 e6ybqF2 e6ybqK1 e6ybqC1 e6ybqD1 e6ybqL1	ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
8PN7	Download	Experimental	e8pn7A1 e8pn7B1 e8pn7G2 e8pn7C1 e8pn7D2 e8pn7H2 e8pn7E1 e8pn7F2 e8pn7I2 e8pn7A2 e8pn7B2 e8pn7J2 e8pn7E1 e8pn7E2 e8pn7F1 e8pn7K2 e8pn7C2 e8pn7D1 e8pn7L2	ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
6YBP	Download	Experimental	e6ybpA1 e6ybpB2 e6ybpG2 e6ybpC1 e6ybpD2 e6ybpH1 e6ybpE2 e6ybpF2 e6ybpI2 e6ybpA2 e6ybpB1 e6ybpJ2 e6ybpE1 e6ybpE2 e6ybpF1 e6ybpK2 e6ybpC2 e6ybpD1 e6ybpL2	ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot