PDB ligand accession: LDT
DrugBank: DB08084
PubChem: 448932;4369325;
ChEMBL:
InChI Key: JCZUIWYXULSXSW-UHFFFAOYSA-N
SMILES: c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenoxyacetic acid derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 2I16 | Download | Experimental | e2i16A1 | TIM beta/alpha-barrel | LigPlot |
| 2PF8 | Download | Experimental | e2pf8A1 | TIM beta/alpha-barrel | LigPlot |
| 3GHR | Download | Experimental | e3ghrA1 | TIM beta/alpha-barrel | LigPlot |
| 3LQL | Download | Experimental | e3lqlA1 | TIM beta/alpha-barrel | LigPlot |
| 3ONC | Download | Experimental | e3oncA1 | TIM beta/alpha-barrel | LigPlot |
| 3LD5 | Download | Experimental | e3ld5A1 | TIM beta/alpha-barrel | LigPlot |
| 2QXW | Download | Experimental | e2qxwA1 | TIM beta/alpha-barrel | LigPlot |
| 2PFH | Download | Experimental | e2pfhA1 | TIM beta/alpha-barrel | LigPlot |
| 2R24 | Download | Experimental | e2r24A1 | TIM beta/alpha-barrel | LigPlot |
| 3GHU | Download | Experimental | e3ghuA1 | TIM beta/alpha-barrel | LigPlot |
| 2I17 | Download | Experimental | e2i17A1 | TIM beta/alpha-barrel | LigPlot |
| 3LZ5 | Download | Experimental | e3lz5A1 | TIM beta/alpha-barrel | LigPlot |
| 3LBO | Download | Experimental | e3lboA1 | TIM beta/alpha-barrel | LigPlot |
| 3GHT | Download | Experimental | e3ghtA1 | TIM beta/alpha-barrel | LigPlot |
| 3GHS | Download | Experimental | e3ghsA1 | TIM beta/alpha-barrel | LigPlot |
| 1US0 | Download | Experimental | e1us0A1 | TIM beta/alpha-barrel | LigPlot |
| 3ONB | Download | Experimental | e3onbA1 | TIM beta/alpha-barrel | LigPlot |
| 2PEV | Download | Experimental | e2pevA1 | TIM beta/alpha-barrel | LigPlot |