PDB ligand accession: 3SU
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BTHAZQKLFQMXOX-KMKOMSMNSA-N
SMILES: c1cc2c(cc1Br)[nH]cc2C=C(C(=O)O)S
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4WQ3 | Download | Experimental | e4wq3A1 e4wq3A2 e4wq3B1 e4wq3B2 | EF-hand EF-hand EF-hand EF-hand | LigPlot |
4WQ2 | Download | Experimental | e4wq2A1 e4wq2A2 e4wq2B1 e4wq2B2 | EF-hand EF-hand EF-hand EF-hand | LigPlot |