Ligand name: {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
PDB ligand accession: 4IR
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: OPJZDGOSRZOXTM-DYKJULMGSA-M
SMILES: C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCCC8C9C(CS8)NC(=O)N9)Cl)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzenesulfonamides

List of PDB structures and/or AlphaFold models with target protein P22629

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6S4Q	Download	Experimental	e6s4qA1 e6s4qA2 e6s4qB1 e6s4qA1 e6s4qA2 e6s4qB2	Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin	LigPlot
6GMI	Download	Experimental	e6gmiA1	Lipocalins/Streptavidin	LigPlot
7B74	Download	Experimental	e7b74AAA1 e7b74BBB1 e7b74CCC1 e7b74DDD1	Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin	LigPlot
3PK2	Download	Experimental	e3pk2A1	Lipocalins/Streptavidin	LigPlot
6S50	Download	Experimental	e6s50A2 e6s50B1 e6s50A1 e6s50A2 e6s50B2	Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin	LigPlot
6ESS	Download	Experimental	e6essA1	Lipocalins/Streptavidin	LigPlot