PDB ligand accession: R2E
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: VKPLRGNVMHDBDF-UHFFFAOYSA-N
SMILES: CCC(=O)N1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4ccc(c(c4F)Cl)Cl
Drug action: n/a
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
8F1Y | Download | Experimental | e8f1yA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
8F1W | Download | Experimental | e8f1wA1 e8f1wB1 e8f1wC1 e8f1wC1 e8f1wD1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
7A6J | Download | Experimental | e7a6jA1 e7a6jB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |