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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P11498

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7WTA	Download	Experimental	e7wtaA3 e7wtaA5 e7wtaC2 e7wtaC4 e7wtaB3 e7wtaD2 e7wtaD5 e7wtaA1 e7wtaA5 e7wtaC3 e7wtaB2 e7wtaB4 e7wtaD1	alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel TIM beta/alpha-barrel RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel RuvA-C RuvA-C TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
7WTC	Download	Experimental	e7wtcA3 e7wtcA6 e7wtcC3 e7wtcC4 e7wtcB3 e7wtcD1 e7wtcD5 e7wtcA6 e7wtcA8 e7wtcC1 e7wtcB4 e7wtcB8 e7wtcD4	alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel RuvA-C TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid RuvA-C TIM beta/alpha-barrel TIM beta/alpha-barrel RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
7WTB	Download	Experimental	e7wtbA3 e7wtbA4 e7wtbC3 e7wtbC5 e7wtbB6 e7wtbD1 e7wtbD2 e7wtbA2 e7wtbA3 e7wtbC2 e7wtbB1 e7wtbB2 e7wtbD3	TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid RuvA-C TIM beta/alpha-barrel RuvA-C TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid RuvA-C TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
3BG3	Download	Experimental	e3bg3B8 e3bg3B9 e3bg3A1 e3bg3A3	TIM beta/alpha-barrel RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel	LigPlot