PDB ligand accession: 18P
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: MRYFMHAPTQCQLE-GOSISDBHSA-N
SMILES: CC1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3U6A | Download | Experimental | e3u6aA2 e3u6aA3 e3u6aB2 e3u6aB3 e3u6aC2 e3u6aC3 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |