PDB ligand accession: 569
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: RNJTYVPMRSKRKE-HXUWFJFHSA-N
SMILES: CN1C(=O)C(N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylmethanes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3INH | Download | Experimental | e3inhA2 e3inhA3 | cradle loop barrel cradle loop barrel | LigPlot |