PDB ligand accession: VIA
DrugBank: DB00203
PubChem: 5212;5281023;135398744;
ChEMBL:
InChI Key: BNRNXUUZRGQAQC-UHFFFAOYSA-N
SMILES: CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzenesulfonamides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 1UDT | Download | Experimental | e1udtA1 | PDEase-like | LigPlot |
| 1TBF | Download | Experimental | e1tbfA1 | PDEase-like | LigPlot |
| 3JWQ | Download | Experimental | e3jwqA1 e3jwqB1 e3jwqC1 e3jwqC1 e3jwqA1 e3jwqD1 | PDEase-like PDEase-like PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 2H42 | Download | Experimental | e2h42A1 e2h42B1 e2h42C1 | PDEase-like PDEase-like PDEase-like | LigPlot |