Ligand name: N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide
PDB ligand accession: K6S
DrugBank: n/a
PubChem: 91970648
ChEMBL: CHEMBL4170666
InChI Key: CNTJLQUUYDXEFL-UHFFFAOYSA-N
SMILES: CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q12888

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6MXZ	Download	Experimental	e6mxzA1 e6mxzA2 e6mxzB1 e6mxzB2 e6mxzC1 e6mxzC2 e6mxzD1 e6mxzD2 e6mxzE1 e6mxzE2 e6mxzF1 e6mxzF2 e6mxzG1 e6mxzG2 e6mxzH1 e6mxzH2 e6mxzI1 e6mxzI2 e6mxzJ1 e6mxzJ2	SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3	LigPlot