PDB ligand accession: 2RC
DrugBank: DB12010
InChI Key: GKDRMWXFWHEQQT-UHFFFAOYSA-N
SMILES: CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P54762 | Download | Predicted | P54762_F1_nD2 P54762_F1_nD6 P54762_F1_nD1 P54762_F1_nD7 | EGF-like Protein kinase/SAICAR synthase/ATP-grasp jelly-roll HhH/H2TH |
2DJS | Predicted | e2djsA1 | ||
2EAO | Predicted | e2eaoA1 | ||
3ZFX | Predicted | e3zfxC1 e3zfxA1 e3zfxB1 e3zfxD1 e3zfxE1 e3zfxG1 e3zfxH1 e3zfxI1 e3zfxF1 | ||
5MJA | Predicted | e5mjaA1 e5mjaB1 | ||
5MJB | Predicted | e5mjbA1 e5mjbB1 |