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 |
|---|---|---|---|---|
| P78356 | Download | Predicted | P78356_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
| 1BO1 | Predicted | e1bo1A1 e1bo1B1 | ||
| 3WZZ | Predicted | e3wzzA1 e3wzzB1 | ||
| 3X01 | Predicted | e3x01A1 e3x01B1 | ||
| 3X02 | Predicted | e3x02A1 e3x02B1 | ||
| 3X03 | Predicted | e3x03A1 e3x03B1 | ||
| 3X04 | Predicted | e3x04A1 e3x04B1 | ||
| 3X05 | Predicted | e3x05A1 e3x05B1 | ||
| 3X06 | Predicted | e3x06A1 e3x06B1 | ||
| 3X07 | Predicted | e3x07A1 e3x07B1 | ||
| 3X08 | Predicted | e3x08A1 e3x08B1 | ||
| 3X09 | Predicted | e3x09A1 e3x09B1 | ||
| 3X0A | Predicted | e3x0aA1 e3x0aB1 | ||
| 3X0B | Predicted | e3x0bA1 e3x0bB1 | ||
| 3X0C | Predicted | e3x0cA1 e3x0cB1 |