PDB ligand accession: PNS
DrugBank: DB03912
PubChem:
ChEMBL: n/a
InChI Key: JDMUPRLRUUMCTL-VIFPVBQESA-N
SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)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 |
---|---|---|---|---|---|
4H2S | Download | Experimental | e4h2sD2 e4h2sB1 | ACP-like Class II aaRS and biotin synthetases | LigPlot |
4H2T | Download | Experimental | e4h2tD2 e4h2tB2 | ACP-like Class II aaRS and biotin synthetases | LigPlot |
4H2V | Download | Experimental | e4h2vD2 e4h2vB2 | ACP-like Class II aaRS and biotin synthetases | LigPlot |
4H2U | Download | Experimental | e4h2uA2 e4h2uC1 e4h2uB2 e4h2uD1 | Class II aaRS and biotin synthetases ACP-like Class II aaRS and biotin synthetases ACP-like | LigPlot |