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 |
---|---|---|---|---|
Q04771 | Download | Predicted | Q04771_F1_nD3 | Protein kinase/SAICAR synthase/ATP-grasp |
3H9R | Predicted | e3h9rA1 | ||
3MTF | Predicted | e3mtfA1 e3mtfB1 | ||
3OOM | Predicted | e3oomA1 | ||
3Q4U | Predicted | e3q4uA1 e3q4uB1 e3q4uC1 e3q4uD1 | ||
4BGG | Predicted | e4bggA1 e4bggB2 e4bggD2 e4bggC2 | ||
4C02 | Predicted | e4c02A1 | ||
4DYM | Predicted | e4dymA1 | ||
5OXG | Predicted | e5oxgA1 e5oxgB1 e5oxgC1 e5oxgD1 | ||
5OY6 | Predicted | e5oy6B1 e5oy6A1 e5oy6C1 e5oy6D1 | ||
6ACR | Predicted | e6acrA1 e6acrB1 | ||
6EIX | Predicted | e6eixA1 | ||
6GI6 | Predicted | e6gi6A1 | ||
6GIN | Predicted | e6ginA1 e6ginB1 | ||
6GIP | Predicted | e6gipA1 | ||
6I1S | Predicted | e6i1sA1 | ||
6SRH | Predicted | e6srhA1 e6srhB1 | ||
6SZM | Predicted | e6szmA1 e6szmB1 | ||
6T6D | Predicted | e6t6dB1 e6t6dD1 e6t6dA1 e6t6dC1 | ||
6T8N | Predicted | e6t8nA1 e6t8nB1 | ||
6TN8 | Predicted | e6tn8A1 |