PDB ligand accession: LE2
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: WVJCPUDEWCGDGL-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CCNC=S
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: None
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4F2K | Download | Experimental | e4f2kA1 e4f2kC1 e4f2kA1 e4f2kB1 e4f2kB1 e4f2kC1 | Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like | LigPlot |
3SMB | Download | Experimental | e3smbA1 e3smbC1 e3smbA1 e3smbB1 e3smbC1 e3smbB1 | Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like | LigPlot |