PDB ligand accession: M76
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: KKAHXTQWSHRJRB-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=C(N(C2=O)O)O)C(=O)NCc3ccc(cc3)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: Isoquinolones and derivatives
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4IKF | Download | Experimental | e4ikfA1 e4ikfA3 | Ribonuclease H-like SH3 | LigPlot |