PDB ligand accession: BEN
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: PXXJHWLDUBFPOL-UHFFFAOYSA-N
SMILES: [H]N=C(c1ccccc1)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: None
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 3T28 | Download | Experimental | e3t28A1 | cradle loop barrel | LigPlot |
| 3UNQ | Download | Experimental | e3unqA1 | cradle loop barrel | LigPlot |
| 6DZF | Download | Experimental | e6dzfA1 | cradle loop barrel | LigPlot |
| 4TPY | Download | Experimental | e4tpyA1 | cradle loop barrel | LigPlot |
| 5MO0 | Download | Experimental | e5mo0A1 | cradle loop barrel | LigPlot |
| 6SVN | Download | Experimental | e6svnA1 | cradle loop barrel | LigPlot |
| 5T3H | Download | Experimental | e5t3hA1 | cradle loop barrel | LigPlot |
| 1V2J | Download | Experimental | e1v2jT1 | cradle loop barrel | LigPlot |
| 7AYS | Download | Experimental | e7aysA1 | cradle loop barrel | LigPlot |
| 3RXE | Download | Experimental | e3rxeA1 | cradle loop barrel | LigPlot |
| 1S0R | Download | Experimental | e1s0rA1 | cradle loop barrel | LigPlot |
| 4NCY | Download | Experimental | e4ncyA1 | cradle loop barrel | LigPlot |
| 5MNG | Download | Experimental | e5mngA1 | cradle loop barrel | LigPlot |
| 6XYG | Download | Experimental | e6xygA1 | cradle loop barrel | LigPlot |
| 1CE5 | Download | Experimental | e1ce5A1 | cradle loop barrel | LigPlot |
| 2BY6 | Download | Experimental | e2by6X1 | cradle loop barrel | LigPlot |
| 1V2L | Download | Experimental | e1v2lT1 | cradle loop barrel | LigPlot |
| 1V2U | Download | Experimental | e1v2uT1 | cradle loop barrel | LigPlot |
| 3MI4 | Download | Experimental | e3mi4A1 | cradle loop barrel | LigPlot |
| 1J8A | Download | Experimental | e1j8aA1 | cradle loop barrel | LigPlot |
| 6B6P | Download | Experimental | e6b6pA1 | cradle loop barrel | LigPlot |
| 1V2M | Download | Experimental | e1v2mT1 | cradle loop barrel | LigPlot |
| 3RXQ | Download | Experimental | e3rxqA1 | cradle loop barrel | LigPlot |
| 6SVX | Download | Experimental | e6svxA1 | cradle loop barrel | LigPlot |
| 5MOQ | Download | Experimental | e5moqA1 | cradle loop barrel | LigPlot |
| 1C5P | Download | Experimental | e1c5pA1 | cradle loop barrel | LigPlot |
| 2BY7 | Download | Experimental | e2by7X1 | cradle loop barrel | LigPlot |
| 4I8J | Download | Experimental | e4i8jA1 | cradle loop barrel | LigPlot |
| 3T26 | Download | Experimental | e3t26A1 | cradle loop barrel | LigPlot |
| 3QK1 | Download | Experimental | e3qk1A1 | cradle loop barrel | LigPlot |
| 6B6T | Download | Experimental | e6b6tA1 | cradle loop barrel | LigPlot |
| 6B6N | Download | Experimental | e6b6nA1 | cradle loop barrel | LigPlot |
| 6SV9 | Download | Experimental | e6sv9A1 | cradle loop barrel | LigPlot |
| 6SVV | Download | Experimental | e6svvA1 | cradle loop barrel | LigPlot |
| 6B6O | Download | Experimental | e6b6oA1 | cradle loop barrel | LigPlot |
| 3T27 | Download | Experimental | e3t27A1 | cradle loop barrel | LigPlot |
| 2BLV | Download | Experimental | e2blvA1 | cradle loop barrel | LigPlot |
| 6XYK | Download | Experimental | e6xykA1 | cradle loop barrel | LigPlot |
| 2J9N | Download | Experimental | e2j9nA1 | cradle loop barrel | LigPlot |
| 6FID | Download | Experimental | e6fidA1 | cradle loop barrel | LigPlot |
| 1C1N | Download | Experimental | e1c1nA1 | cradle loop barrel | LigPlot |
| 6B6R | Download | Experimental | e6b6rA1 | cradle loop barrel | LigPlot |
| 1BTY | Download | Experimental | e1btyA1 | cradle loop barrel | LigPlot |
| 6SV8 | Download | Experimental | e6sv8A1 | cradle loop barrel | LigPlot |
| 7WA0 | Download | Experimental | e7wa0A1 | cradle loop barrel | LigPlot |
| 2BYA | Download | Experimental | e2byaX1 | cradle loop barrel | LigPlot |
| 3RXU | Download | Experimental | e3rxuA1 | cradle loop barrel | LigPlot |
| 2BY5 | Download | Experimental | e2by5X1 | cradle loop barrel | LigPlot |
| 4I8G | Download | Experimental | e4i8gA1 | cradle loop barrel | LigPlot |
| 4I8K | Download | Experimental | e4i8kA1 | cradle loop barrel | LigPlot |
| 6AVL | Download | Experimental | e6avlA1 | cradle loop barrel | LigPlot |
| 6SVZ | Download | Experimental | e6svzA1 | cradle loop barrel | LigPlot |
| 6SVW | Download | Experimental | e6svwA1 | cradle loop barrel | LigPlot |
| 6SVU | Download | Experimental | e6svuA1 | cradle loop barrel | LigPlot |
| 6SWV | Download | Experimental | e6swvAAA1 | cradle loop barrel | LigPlot |
| 6SV0 | Download | Experimental | e6sv0A1 | cradle loop barrel | LigPlot |
| 6SV6 | Download | Experimental | e6sv6A1 | cradle loop barrel | LigPlot |
| 4YTA | Download | Experimental | e4ytaA1 | cradle loop barrel | LigPlot |
| 4I8H | Download | Experimental | e4i8hA1 | cradle loop barrel | LigPlot |
| 2OXS | Download | Experimental | e2oxsA1 | cradle loop barrel | LigPlot |
| 3T25 | Download | Experimental | e3t25A1 | cradle loop barrel | LigPlot |
| 6SVI | Download | Experimental | e6sviA1 | cradle loop barrel | LigPlot |
| 2BY9 | Download | Experimental | e2by9X1 | cradle loop barrel | LigPlot |
| 3PTB | Download | Experimental | e3ptbA1 | cradle loop barrel | LigPlot |
| 7BS1 | Download | Experimental | e7bs1A1 | cradle loop barrel | LigPlot |
| 2BLW | Download | Experimental | e2blwA1 | cradle loop barrel | LigPlot |
| 6B6Q | Download | Experimental | e6b6qA1 | cradle loop barrel | LigPlot |
| 1TIO | Download | Experimental | e1tioA1 | cradle loop barrel | LigPlot |
| 2BY8 | Download | Experimental | e2by8X1 | cradle loop barrel | LigPlot |
| 4I8L | Download | Experimental | e4i8lA1 | cradle loop barrel | LigPlot |
| 2AYW | Download | Experimental | e2aywA1 | cradle loop barrel | LigPlot |
| 3GY7 | Download | Experimental | e3gy7A1 | cradle loop barrel | LigPlot |
| 6SVD | Download | Experimental | e6svdA1 | cradle loop barrel | LigPlot |
| 6B6S | Download | Experimental | e6b6sA1 | cradle loop barrel | LigPlot |
| 7BS8 | Download | Experimental | e7bs8A1 | cradle loop barrel | LigPlot |
| 1V2S | Download | Experimental | e1v2sT1 | cradle loop barrel | LigPlot |
| 3ATL | Download | Experimental | e3atlA1 | cradle loop barrel | LigPlot |
| 3MFJ | Download | Experimental | e3mfjA1 | cradle loop barrel | LigPlot |
| 6SVJ | Download | Experimental | e6svjA1 | cradle loop barrel | LigPlot |
| 5F6M | Download | Experimental | e5f6mA1 | cradle loop barrel | LigPlot |
| 6SW0 | Download | Experimental | e6sw0A1 | cradle loop barrel | LigPlot |
| 3PWB | Download | Experimental | e3pwbA1 | cradle loop barrel | LigPlot |
| 3PLB | Download | Experimental | e3plbA1 | cradle loop barrel | LigPlot |
| 3T29 | Download | Experimental | e3t29A1 | cradle loop barrel | LigPlot |
| 6SVG | Download | Experimental | e6svgA1 | cradle loop barrel | LigPlot |
| 3ITI | Download | Experimental | e3itiA1 | cradle loop barrel | LigPlot |
| 5FXL | Download | Experimental | e5fxlA1 | cradle loop barrel | LigPlot |
| 6SVR | Download | Experimental | e6svrA1 | cradle loop barrel | LigPlot |
| 3RXV | Download | Experimental | e3rxvA1 | cradle loop barrel | LigPlot |
| 5MNH | Download | Experimental | e5mnhA1 | cradle loop barrel | LigPlot |
| 6SVB | Download | Experimental | e6svbA1 | cradle loop barrel | LigPlot |
| 1V2V | Download | Experimental | e1v2vT1 | cradle loop barrel | LigPlot |
| 6SUX | Download | Experimental | e6suxA1 | cradle loop barrel | LigPlot |
| 2TIO | Download | Experimental | e2tioA1 | cradle loop barrel | LigPlot |
| 3UY9 | Download | Experimental | e3uy9A1 e3uy9D1 e3uy9F1 e3uy9B1 e3uy9C1 e3uy9E1 e3uy9G1 e3uy9H1 e3uy9I1 e3uy9N1 e3uy9P1 e3uy9J1 e3uy9O1 e3uy9K1 e3uy9M1 e3uy9L1 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |