PDB ligand accession: 07J
DrugBank: DB11886
InChI Key: QADPYRIHXKWUSV-UHFFFAOYSA-N
SMILES: CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
|---|---|---|---|---|
| P22455 | Download | Predicted | P22455_F1_nD3 P22455_F1_nD2 P22455_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich |
| 4QQ5 | Predicted | e4qq5A1 | ||
| 4QQC | Predicted | e4qqcA1 | ||
| 4QQJ | Predicted | e4qqjA1 | ||
| 4QQT | Predicted | e4qqtA1 | ||
| 4QRC | Predicted | e4qrcA1 | ||
| 4R6V | Predicted | e4r6vA1 | ||
| 4TYE | Predicted | e4tyeA1 | ||
| 4TYG | Predicted | e4tygA1 | ||
| 4TYI | Predicted | e4tyiA1 | ||
| 4TYJ | Predicted | e4tyjA1 | ||
| 4UXQ | Predicted | e4uxqA1 | ||
| 4XCU | Predicted | e4xcuA1 | ||
| 5JKG | Predicted | e5jkgA1 | ||
| 5NUD | Predicted | e5nudA1 e5nudB1 | ||
| 5NWZ | Predicted | e5nwzA1 e5nwzB1 | ||
| 5XFF | Predicted | e5xffA1 | ||
| 5XFJ | Predicted | e5xfjA1 | ||
| 6IUO | Predicted | e6iuoA1 | ||
| 6IUP | Predicted | e6iupA1 | ||
| 6J6Y | Predicted | e6j6yA1 e6j6yD1 | ||
| 6JPJ | Predicted | e6jpjA1 | ||
| 6NVG | Predicted | e6nvgA1 | ||
| 6NVH | Predicted | e6nvhA1 | ||
| 6NVI | Predicted | e6nviA1 | ||
| 6NVJ | Predicted | e6nvjA1 | ||
| 6NVK | Predicted | e6nvkA1 |