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 |
---|---|---|---|---|
P36888 | Download | Predicted | P36888_F1_nD7 P36888_F1_nD6 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp |
1RJB | Predicted | e1rjbA1 | ||
3QS7 | Predicted | e3qs7E1 e3qs7F1 e3qs7G5 e3qs7H1 e3qs7E4 e3qs7F4 e3qs7G6 e3qs7H3 e3qs7E3 e3qs7F3 e3qs7E2 e3qs7F2 e3qs7H2 | ||
3QS9 | Predicted | e3qs9G5 e3qs9H5 e3qs9E5 e3qs9F4 e3qs9E4 e3qs9F2 e3qs9G2 e3qs9H2 e3qs9E3 e3qs9F3 e3qs9G4 e3qs9H4 e3qs9E2 e3qs9G3 e3qs9H3 e3qs9G1 e3qs9H1 e3qs9E1 e3qs9F1 | ||
4RT7 | Predicted | e4rt7A1 | ||
4XUF | Predicted | e4xufA1 e4xufB1 | ||
5X02 | Predicted | e5x02A1 | ||
6JQR | Predicted | e6jqrA1 |