PDB ligand accession: AV9
DrugBank: DB11800
InChI Key: SPMVMDHWKHCIDT-UHFFFAOYSA-N
SMILES: CC1=CC(=NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)NO1
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 |
---|---|---|---|---|
P16234 | Download | Predicted | P16234_F1_nD3 P16234_F1_nD5 | Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp |
5GRN | Predicted | e5grnA1 | ||
5K5X | Predicted | e5k5xA1 | ||
6A32 | Predicted | e6a32A1 |