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 |
|---|---|---|---|---|
| Q9H2G2 | Download | Predicted | Q9H2G2_F1_nD1 Q9H2G2_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp Head domain of nucleotide exchange factor GrpE |
| 2J51 | Predicted | e2j51A1 | ||
| 2JFL | Predicted | e2jflA1 | ||
| 2JFM | Predicted | e2jfmA1 | ||
| 2UV2 | Predicted | e2uv2A1 | ||
| 4USF | Predicted | e4usfA1 e4usfB1 | ||
| 6HVD | Predicted | e6hvdA1 |