Ligand name: 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PDB ligand accession: KS5
DrugBank: DB08054
InChI Key: GEZALMMCQYDFML-UHFFFAOYSA-N
SMILES: CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P12931

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P12931	Download	Predicted	P12931_F1_nD2 P12931_F1_nD1 P12931_F1_nD3	SH2 SH3 Protein kinase/SAICAR synthase/ATP-grasp
1A07		Predicted	e1a07B1 e1a07A1
1A08		Predicted	e1a08B1 e1a08A1
1A09		Predicted	e1a09A1 e1a09B1
1A1A		Predicted	e1a1aA1 e1a1aB1
1A1B		Predicted	e1a1bB1 e1a1bA1
1A1C		Predicted	e1a1cB1 e1a1cA1
1A1E		Predicted	e1a1eB1 e1a1eA1
1FMK		Predicted	e1fmkA1 e1fmkA2 e1fmkA3
1HCS		Predicted	e1hcsB1
1HCT		Predicted	e1hctB1
1KSW		Predicted	e1kswA1 e1kswA2 e1kswA3
1O41		Predicted	e1o41A1
1O42		Predicted	e1o42A1
1O43		Predicted	e1o43A1
1O44		Predicted	e1o44A1
1O45		Predicted	e1o45A1
1O46		Predicted	e1o46A1
1O47		Predicted	e1o47A1
1O48		Predicted	e1o48A1
1O49		Predicted	e1o49A1
1O4A		Predicted	e1o4aA1
1O4B		Predicted	e1o4bA1
1O4C		Predicted	e1o4cA1
1O4D		Predicted	e1o4dA1
1O4E		Predicted	e1o4eA1
1O4F		Predicted	e1o4fA1
1O4G		Predicted	e1o4gA1
1O4H		Predicted	e1o4hA1
1O4I		Predicted	e1o4iA1
1O4J		Predicted	e1o4jA1
1O4K		Predicted	e1o4kA1
1O4L		Predicted	e1o4lA1
1O4M		Predicted	e1o4mA1
1O4N		Predicted	e1o4nA1
1O4O		Predicted	e1o4oA1
1O4P		Predicted	e1o4pA1
1O4Q		Predicted	e1o4qA1
1O4R		Predicted	e1o4rA1
1SHD		Predicted	e1shdA1
1Y57		Predicted	e1y57A1 e1y57A2 e1y57A3
1YI6		Predicted	e1yi6A1 e1yi6B1
1YOJ		Predicted	e1yojB2 e1yojA1
1YOL		Predicted	e1yolA1 e1yolB1
1YOM		Predicted	e1yomA1 e1yomB1
2BDF		Predicted	e2bdfB1 e2bdfA1
2BDJ		Predicted	e2bdjA1
2H8H		Predicted	e2h8hA1 e2h8hA2 e2h8hA3
2SRC		Predicted	e2srcA1 e2srcA2 e2srcA3
4F59		Predicted	e4f59A1
4F5A		Predicted	e4f5aA1
4F5B		Predicted	e4f5bA1
4HXJ		Predicted	e4hxjA1 e4hxjB1
4K11		Predicted	e4k11A3 e4k11A2 e4k11A1
4MXO		Predicted	e4mxoB1 e4mxoA1
4MXX		Predicted	e4mxxB1 e4mxxA1
4MXY		Predicted	e4mxyA2 e4mxyB1
4MXZ		Predicted	e4mxzB1 e4mxzA1
6ATE		Predicted	e6ateA1
6C4S		Predicted	e6c4sA1 e6c4sB1
6E6E		Predicted	e6e6eA1 e6e6eB1 e6e6eC1 e6e6eD1 e6e6eE1 e6e6eF1 e6e6eG1 e6e6eH1