PDB ligand accession: ZST
DrugBank: DB08772
PubChem:
ChEMBL:
InChI Key: BCSVCWVQNOXFGL-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O
Drug action: modulator
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Benzodiazines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2DUX | Download | Experimental | e2duxA1 | TIM beta/alpha-barrel | LigPlot |
2PDI | Download | Experimental | e2pdiA1 | TIM beta/alpha-barrel | LigPlot |
2FZ9 | Download | Experimental | e2fz9A1 | TIM beta/alpha-barrel | LigPlot |
2PDX | Download | Experimental | e2pdxA1 | TIM beta/alpha-barrel | LigPlot |
2PDB | Download | Experimental | e2pdbA1 | TIM beta/alpha-barrel | LigPlot |
2PDM | Download | Experimental | e2pdmA1 | TIM beta/alpha-barrel | LigPlot |
2PD5 | Download | Experimental | e2pd5A1 | TIM beta/alpha-barrel | LigPlot |
3LEN | Download | Experimental | e3lenA1 | TIM beta/alpha-barrel | LigPlot |
2PDF | Download | Experimental | e2pdfA1 | TIM beta/alpha-barrel | LigPlot |
2FZ8 | Download | Experimental | e2fz8A1 | TIM beta/alpha-barrel | LigPlot |
1MAR | Download | Experimental | e1marA1 | TIM beta/alpha-barrel | LigPlot |
3M0I | Download | Experimental | e3m0iA1 | TIM beta/alpha-barrel | LigPlot |
2DUZ | Download | Experimental | e2duzA1 | TIM beta/alpha-barrel | LigPlot |
2HV5 | Download | Experimental | e2hv5A1 | TIM beta/alpha-barrel | LigPlot |
2HVO | Download | Experimental | e2hvoA1 | TIM beta/alpha-barrel | LigPlot |
2HVN | Download | Experimental | e2hvnA1 | TIM beta/alpha-barrel | LigPlot |
3MB9 | Download | Experimental | e3mb9A1 | TIM beta/alpha-barrel | LigPlot |
2DV0 | Download | Experimental | e2dv0A1 | TIM beta/alpha-barrel | LigPlot |