PDB ligand accession: BAX
DrugBank: DB00398
PubChem:
ChEMBL:
InChI Key: MLDQJTXFUGDVEO-UHFFFAOYSA-N
SMILES: CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Ethers
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1UWH | Download | Experimental | e1uwhA1 e1uwhB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
1UWJ | Download | Experimental | e1uwjA1 e1uwjB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
5HI2 | Download | Experimental | e5hi2A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |