PDB ligand accession: 0MZ
DrugBank: n/a
PubChem: 135820626;137347875;
ChEMBL: n/a
InChI Key: OBVIGUGYWMTZGZ-MQEPLNOPSA-N
SMILES: c1ccc(c(c1)C=NN=C2N=C(C(S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Trifluoromethylbenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4E28 | Download | Experimental | e4e28A1 | Thymidylate synthase/dCMP hydroxymethylase | LigPlot |