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 |
---|---|---|---|---|
Q5S007 | Download | Predicted | Q5S007_F1_nD4 Q5S007_F1_nD2 Q5S007_F1_nD8 Q5S007_F1_nD6 Q5S007_F1_nD7 Q5S007_F1_nD3 | Obg GTP-binding protein C-terminal domain-like Single-stranded right-handed beta-helix beta-propeller-like TBP-like Protein kinase/SAICAR synthase/ATP-grasp P-loop domains-like |
2ZEJ | Predicted | e2zejA1 e2zejB1 | ||
3D6T | Predicted | e3d6tB2 | ||
6DLO | Predicted | e6dloB1 e6dloA1 | ||
6DLP | Predicted | e6dlpB1 e6dlpA1 |