PDB ligand accession: 5AP
DrugBank: DB02004
PubChem:
ChEMBL:
InChI Key: RCJFINNFYUNFGH-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1RWQ | Download | Experimental | e1rwqA2 e1rwqA1 e1rwqB2 e1rwqB1 | alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like | LigPlot |