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 |
---|---|---|---|---|
P43403 | Download | Predicted | P43403_F1_nD3 | Protein kinase/SAICAR synthase/ATP-grasp |
1M61 | Predicted | e1m61A1 e1m61A2 | ||
1U59 | Predicted | e1u59A1 | ||
2OQ1 | Predicted | e2oq1A1 e2oq1A2 | ||
2OZO | Predicted | e2ozoA5 e2ozoA6 e2ozoA4 | ||
4K2R | Predicted | e4k2rA6 e4k2rA7 e4k2rA2 | ||
4XZ0 | Predicted | e4xz0A1 e4xz0A2 | ||
4XZ1 | Predicted | e4xz1A2 e4xz1A1 |