PDB ligand accession: QKM
DrugBank: DB11633
InChI Key: DDFOUSQFMYRUQK-RCDICMHDSA-N
SMILES: CC(c1nc(cs1)c2ccc(cc2)C#N)C(Cn3cncn3)(c4cc(ccc4F)F)O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylpropanes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
|---|---|---|---|---|
| Q12809 | Download | Predicted | Q12809_F1_nD1 Q12809_F1_nD2 | Profilin-like jelly-roll |
| 1BYW | Predicted | e1bywA1 | ||
| 2L0W | Predicted | e2l0wA1 | ||
| 2L1M | Predicted | e2l1mA1 | ||
| 2L4R | Predicted | e2l4rA1 | ||
| 2N7G | Predicted | e2n7gA1 | ||
| 4HP9 | Predicted | e4hp9A1 | ||
| 4HQA | Predicted | e4hqaA2 | ||
| 5VA1 | Predicted | e5va1A1 e5va1A3 e5va1A2 | ||
| 5VA2 | Predicted | e5va2A1 e5va2A3 e5va2A2 | ||
| 5VA3 | Predicted | e5va3A1 e5va3A3 e5va3A2 |