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 |
---|---|---|---|---|
Q9UBF8 | Download | Predicted | Q9UBF8_F1_nD2 Q9UBF8_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins |
4D0L | Predicted | e4d0lC2 e4d0lA2 e4d0lE2 e4d0lC1 e4d0lA1 e4d0lE1 | ||
4D0M | Predicted | e4d0mA2 e4d0mC2 e4d0mG2 e4d0mI2 e4d0mM2 e4d0mO2 e4d0mQ2 e4d0mS2 e4d0mW2 e4d0mY2 e4d0mc2 e4d0mg2 e4d0mA1 e4d0mC1 e4d0mG1 e4d0mI1 e4d0mM1 e4d0mO1 e4d0mQ1 e4d0mS1 e4d0mW1 e4d0mY1 e4d0mc1 e4d0mg1 | ||
4WAE | Predicted | e4waeA1 e4waeA2 | ||
4WAG | Predicted | e4wagA1 e4wagA2 | ||
5C46 | Predicted | e5c46E2 e5c46E1 | ||
5C4G | Predicted | e5c4gE1 e5c4gE2 | ||
5EUQ | Predicted | e5euqE1 e5euqE2 | ||
5FBL | Predicted | e5fblA2 e5fblA1 | ||
5FBQ | Predicted | e5fbqA1 e5fbqA2 | ||
5FBR | Predicted | e5fbrA1 e5fbrA2 | ||
5FBV | Predicted | e5fbvA1 e5fbvA2 | ||
5FBW | Predicted | e5fbwA2 e5fbwA1 | ||
6GL3 | Predicted | e6gl3A1 e6gl3B1 |