Ligand name: 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide
PDB ligand accession: D14
DrugBank: n/a
PubChem: 44520929
ChEMBL: CHEMBL593603
InChI Key: GZCKMZURFJCTJE-ZYSHUDEJSA-N
SMILES: CN1Cc2c(sc(n2)C(=O)NC3CC(CCC3NC(=O)c4cc5ccc(cc5cn4)Cl)C(=O)N(C)C)C1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

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
3IIT	Download	Experimental	e3iitA1	cradle loop barrel	LigPlot