Ligand name: 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE
PDB ligand accession: XMB
DrugBank: n/a
PubChem: 446338
ChEMBL: n/a
InChI Key: PCKATVPAEVWNGE-MHZLTWQESA-N
SMILES: c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NCC(C(=O)N3CCS(=O)(=O)CC3)NCC4CCN(CC4)c5ccncc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Naphthalene sulfonic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P00742

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1IQE	Download	Experimental	e1iqeA1	cradle loop barrel	LigPlot