PDB ligand accession: 7PP
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VOASEWXFCTZRDF-UHFFFAOYSA-N
SMILES: Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrrolopyrimidines
- Subclass: Pyrrolo[2,3-d]pyrimidines
- Class: Pyrrolopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3NMQ | Download | Experimental | e3nmqA1 | ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like | LigPlot |