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 A0A640KC69

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8SGZ	Download	Experimental	e8sgzV3 e8sgzC1 e8sgzH1 e8sgzZ1 e8sgzD1 e8sgzF2 e8sgzX1 e8sgzE1 e8sgzG2 e8sgzS2 e8sgzD2 e8sgzF1 e8sgzB5 e8sgzE1 e8sgzE2 e8sgzG1 e8sgzY1 e8sgzY5 e8sgzC2 e8sgzH2	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 alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase	LigPlot
8SGX	Download	Experimental	e8sgxE2 e8sgxG1 e8sgxX4 e8sgxD1 e8sgxF1 e8sgxS4 e8sgxC1 e8sgxH2 e8sgxZ3 e8sgxC2 e8sgxH1 e8sgxV4	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	LigPlot
8SGY	Download	Experimental	e8sgyV1 e8sgyC1 e8sgyH2 e8sgyB2 e8sgyE1 e8sgyE2 e8sgyG2 e8sgyS5 e8sgyD1 e8sgyF1 e8sgyZ5 e8sgyD2 e8sgyF2 e8sgyY1 e8sgyY3 e8sgyC2 e8sgyH1	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 ClpP/crotonase ClpP/crotonase alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid ClpP/crotonase ClpP/crotonase	LigPlot