PDB ligand accession: JBT
DrugBank: n/a
PubChem: 56928055;135566715;
ChEMBL: n/a
InChI Key: JPJUGYYIHUXJRE-NLBQBQJKSA-N
SMILES: CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(C)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: S-alkyl-CoAs
- Subclass: None
- Class: S-alkyl-CoAs
- Superclass: Lipids and lipid-like molecules
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4EA9 | Download | Experimental | e4ea9A5 e4ea9A1 | Single-stranded left-handed beta-helix Rossmann-like | LigPlot |