PDB ligand accession: XA2
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: LYUGMNLZENMUTE-GOSISDBHSA-N
SMILES: [B-](CCCCC(C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Benzylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4Q3R | Download | Experimental | e4q3rA1 e4q3rB1 e4q3rC1 e4q3rD1 | HAD domain-related HAD domain-related HAD domain-related HAD domain-related | LigPlot |