PDB ligand accession: F42
DrugBank: DB03913
PubChem:
ChEMBL: n/a
InChI Key: GEHSZWRGPHDXJO-NALJQGANSA-N
SMILES: CC(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3R5R | Download | Experimental | e3r5rC2 e3r5rA2 e3r5rB2 e3r5rD2 e3r5rE2 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |
3R5W | Download | Experimental | e3r5wM2 e3r5wA2 e3r5wN2 e3r5wB2 e3r5wC2 e3r5wK2 e3r5wL2 e3r5wD2 e3r5wO2 e3r5wE2 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |