PDB ligand accession: 42R
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: MVIALCCOVDELCS-ZDUSSCGKSA-N
SMILES: CC1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Halobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5AFJ | Download | Experimental | e5afjA1 e5afjB1 e5afjB1 e5afjC1 e5afjC1 e5afjD1 e5afjD1 e5afjE1 e5afjA1 e5afjE1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |