PDB ligand accession: 75O
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: MJHBRTGGZYSCHJ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indolecarboxylic acids and derivatives
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5T5T | Download | Experimental | e5t5tA1 e5t5tB1 | Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich | LigPlot |