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 |
|---|---|---|---|---|
| Q02763 | Download | Predicted | Q02763_F1_nD11 | Protein kinase/SAICAR synthase/ATP-grasp |
| 1FVR | Predicted | e1fvrA1 e1fvrB1 | ||
| 2GY5 | Predicted | e2gy5A1 e2gy5A2 e2gy5A3 e2gy5A6 e2gy5A5 e2gy5A4 | ||
| 2GY7 | Predicted | e2gy7B2 e2gy7B1 e2gy7B7 e2gy7B5 e2gy7B6 e2gy7B3 | ||
| 2OO8 | Predicted | e2oo8X1 | ||
| 2OSC | Predicted | e2oscA2 | ||
| 2P4I | Predicted | e2p4iB1 e2p4iA1 | ||
| 2WQB | Predicted | e2wqbA1 | ||
| 3L8P | Predicted | e3l8pA1 | ||
| 4K0V | Predicted | e4k0vA1 e4k0vA7 e4k0vA3 e4k0vA2 e4k0vA5 e4k0vA4 e4k0vA6 | ||
| 4X3J | Predicted | e4x3jA1 | ||
| 5MYA | Predicted | e5myaA2 e5myaB1 e5myaA3 e5myaA1 e5myaB2 | ||
| 5MYB | Predicted | e5mybA1 e5mybB1 e5mybA2 e5mybB2 | ||
| 5UTK | Predicted | e5utkA2 e5utkA1 e5utkB2 e5utkB3 e5utkA3 e5utkB1 | ||
| 6MWE | Predicted | e6mweA1 e6mweB1 |