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 |
---|---|---|---|---|
P54760 | Download | Predicted | P54760_F1_nD8 P54760_F1_nD7 P54760_F1_nD1 | HhH/H2TH Protein kinase/SAICAR synthase/ATP-grasp jelly-roll |
2BBA | Predicted | e2bbaA1 | ||
2E7H | Predicted | e2e7hA1 | ||
2QKQ | Predicted | e2qkqA1 e2qkqB1 | ||
2VWU | Predicted | e2vwuA1 | ||
2VWV | Predicted | e2vwvA1 | ||
2VWW | Predicted | e2vwwA1 | ||
2VWX | Predicted | e2vwxA1 | ||
2VWY | Predicted | e2vwyA1 | ||
2VWZ | Predicted | e2vwzA1 | ||
2VX0 | Predicted | e2vx0A1 | ||
2VX1 | Predicted | e2vx1A1 | ||
2X9F | Predicted | e2x9fA1 | ||
2XVD | Predicted | e2xvdA1 | ||
2YN8 | Predicted | e2yn8A1 e2yn8B1 | ||
3ZEW | Predicted | e3zewA1 e3zewB1 | ||
4AW5 | Predicted | e4aw5A1 | ||
4BB4 | Predicted | e4bb4A1 | ||
6FNI | Predicted | e6fniA1 | ||
6FNJ | Predicted | e6fnjA1 e6fnjB1 | ||
6FNK | Predicted | e6fnkA1 | ||
6FNL | Predicted | e6fnlA1 | ||
6FNM | Predicted | e6fnmA1 |