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 |
---|---|---|---|---|
Q07912 | Download | Predicted | Q07912_F1_nD1 Q07912_F1_nD2 | HhH/H2TH Protein kinase/SAICAR synthase/ATP-grasp |
1U46 | Predicted | e1u46A1 e1u46B1 | ||
1U4D | Predicted | e1u4dB1 e1u4dA1 | ||
1U54 | Predicted | e1u54B1 e1u54A1 | ||
3EQP | Predicted | e3eqpB1 e3eqpA1 | ||
3EQR | Predicted | e3eqrB1 e3eqrA1 | ||
4EWH | Predicted | e4ewhB1 e4ewhA1 | ||
4HZR | Predicted | e4hzrA1 e4hzrB1 | ||
4HZS | Predicted | e4hzsA2 e4hzsB2 e4hzsC2 e4hzsD2 e4hzsB1 e4hzsC1 e4hzsD1 e4hzsA1 | ||
4ID7 | Predicted | e4id7A1 | ||
5ZXB | Predicted | e5zxbA1 e5zxbB1 |