Ligand name: ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine
PDB ligand accession: JNI
DrugBank: n/a
PubChem: 124222736
ChEMBL: CHEMBL4060030
InChI Key: FRBABIFCTILEGV-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CN(c2ccccc2c3cccc(c3)c4cnc(nc4)N5CCNCC5)c6ccnc(n6)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P01375

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5MU8	Download	Experimental	e5mu8A1 e5mu8B1 e5mu8C1 e5mu8A1 e5mu8C1 e5mu8C1 e5mu8D1 e5mu8F1 e5mu8G1 e5mu8H1 e5mu8G1 e5mu8H1 e5mu8I1 e5mu8J1 e5mu8K1 e5mu8L1 e5mu8K1 e5mu8L1 e5mu8M1 e5mu8L1 e5mu8M1 e5mu8N1 e5mu8O1 e5mu8Q1 e5mu8O1 e5mu8P1 e5mu8Q1 e5mu8P1 e5mu8Q1 e5mu8R1 e5mu8S1 e5mu8U1 e5mu8S1 e5mu8T1 e5mu8U1 e5mu8V1 e5mu8W1 e5mu8X1 e5mu8W1 e5mu8X1 e5mu8Y1 e5mu8Z1 e5mu8a1 e5mu8b1 e5mu8a1 e5mu8b1 e5mu8c1 e5mu8d1 e5mu8e1 e5mu8g1 e5mu8d1 e5mu8f1 e5mu8h1 e5mu8i1 e5mu8j1 e5mu8i1 e5mu8j1 e5mu8k1 e5mu8l1 e5mu8m1 e5mu8o1 e5mu8m1 e5mu8n1 e5mu8o1 e5mu8p1 e5mu8q1 e5mu8r1 e5mu8q1 e5mu8r1 e5mu8s1 e5mu8t1 e5mu8u1 e5mu8v1 e5mu8u1 e5mu8v1 e5mu8w1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot