PDB ligand accession: T27
DrugBank: DB08864
PubChem:
ChEMBL:
InChI Key: YIBOMRUWOWDFLG-ONEGZZNKSA-N
SMILES: Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)C=CC#N
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzonitriles
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 7Z2E | Download | Experimental | e7z2eA1 e7z2eA3 e7z2eB2 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 8DXB | Download | Experimental | e8dxbA2 e8dxbA4 e8dxbB2 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 4IDK | Download | Experimental | e4idkB5 e4idkA5 e4idkA8 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 4G1Q | Download | Experimental | e4g1qA5 e4g1qA7 e4g1qB6 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 4ICL | Download | Experimental | e4iclB5 e4iclA5 e4iclA8 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 2ZE2 | Download | Experimental | e2ze2A5 e2ze2A7 e2ze2B2 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 8DXJ | Download | Experimental | e8dxjA1 e8dxjA4 e8dxjB1 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 8DXG | Download | Experimental | e8dxgA1 e8dxgA4 e8dxgB3 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 3BGR | Download | Experimental | e3bgrA5 e3bgrA7 e3bgrB2 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 4IG3 | Download | Experimental | e4ig3B6 e4ig3A5 e4ig3A8 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 4KFB | Download | Experimental | e4kfbA5 e4kfbA7 e4kfbB9 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 6ELI | Download | Experimental | e6eliA1 e6eliA4 e6eliB2 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 8DXK | Download | Experimental | e8dxkA2 e8dxkA4 e8dxkB3 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 8DX3 | Download | Experimental | e8dx3A1 e8dx3A2 e8dx3B1 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 8DXH | Download | Experimental | e8dxhA1 e8dxhA3 e8dxhB1 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 8DXE | Download | Experimental | e8dxeA1 e8dxeA2 e8dxeB2 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 8DXI | Download | Experimental | e8dxiA2 e8dxiA3 e8dxiB1 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 5CYM | Download | Experimental | e5cymA1 e5cymA3 e5cymB2 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 4IFV | Download | Experimental | e4ifvB5 e4ifvA5 e4ifvA8 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 8DX2 | Download | Experimental | e8dx2A2 e8dx2A4 e8dx2B3 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 8DXM | Download | Experimental | e8dxmA2 e8dxmA3 e8dxmB2 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 8DXL | Download | Experimental | e8dxlA1 e8dxlA2 e8dxlB3 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 3QLH | Download | Experimental | e3qlhA5 e3qlhA7 e3qlhB6 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 5CYQ | Download | Experimental | e5cyqA3 e5cyqA4 e5cyqB3 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 4ID5 | Download | Experimental | e4id5B5 e4id5A5 e4id5A8 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 2ZD1 | Download | Experimental | e2zd1A5 e2zd1A7 e2zd1B2 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 7Z2D | Download | Experimental | e7z2dA3 e7z2dA4 e7z2dB1 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 8DX8 | Download | Experimental | e8dx8A1 e8dx8A3 e8dx8B1 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |
| 4IFY | Download | Experimental | e4ifyB5 e4ifyA5 e4ifyA8 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |