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 |
|---|---|---|---|---|
| Q9UM73 | Download | Predicted | Q9UM73_F1_nD7 Q9UM73_F1_nD5 | Protein kinase/SAICAR synthase/ATP-grasp jelly-roll |
| 2XB7 | Predicted | e2xb7A1 | ||
| 2XBA | Predicted | e2xbaA1 | ||
| 2XP2 | Predicted | e2xp2A1 | ||
| 2YFX | Predicted | e2yfxA1 | ||
| 2YHV | Predicted | e2yhvA1 | ||
| 2YJR | Predicted | e2yjrA1 | ||
| 2YJS | Predicted | e2yjsA2 | ||
| 3AOX | Predicted | e3aoxA1 | ||
| 3L9P | Predicted | e3l9pA1 | ||
| 3LCS | Predicted | e3lcsA1 | ||
| 3LCT | Predicted | e3lctA1 | ||
| 4ANL | Predicted | e4anlA2 | ||
| 4ANQ | Predicted | e4anqA1 | ||
| 4ANS | Predicted | e4ansA2 | ||
| 4CCB | Predicted | e4ccbA1 | ||
| 4CCU | Predicted | e4ccuA1 | ||
| 4CD0 | Predicted | e4cd0A1 | ||
| 4CLI | Predicted | e4cliA1 | ||
| 4CLJ | Predicted | e4cljA1 | ||
| 4CMO | Predicted | e4cmoA1 | ||
| 4CMT | Predicted | e4cmtA1 | ||
| 4CMU | Predicted | e4cmuA1 | ||
| 4CNH | Predicted | e4cnhB1 e4cnhA1 | ||
| 4CTB | Predicted | e4ctbA1 | ||
| 4CTC | Predicted | e4ctcA1 | ||
| 4DCE | Predicted | e4dceA1 e4dceB2 | ||
| 4FNW | Predicted | e4fnwA1 | ||
| 4FNX | Predicted | e4fnxA2 | ||
| 4FNY | Predicted | e4fnyA2 | ||
| 4FNZ | Predicted | e4fnzA2 | ||
| 4FOB | Predicted | e4fobA1 | ||
| 4FOC | Predicted | e4focA2 | ||
| 4FOD | Predicted | e4fodA2 | ||
| 4JOA | Predicted | e4joaA1 | ||
| 4MKC | Predicted | e4mkcA1 | ||
| 4TT7 | Predicted | e4tt7A1 | ||
| 4Z55 | Predicted | e4z55A1 | ||
| 5A9U | Predicted | e5a9uA1 | ||
| 5AA8 | Predicted | e5aa8A1 | ||
| 5AA9 | Predicted | e5aa9A1 | ||
| 5AAA | Predicted | e5aaaA1 | ||
| 5AAB | Predicted | e5aabA1 | ||
| 5AAC | Predicted | e5aacA1 | ||
| 5FTO | Predicted | e5ftoA1 | ||
| 5FTQ | Predicted | e5ftqA1 | ||
| 5IMX | Predicted | e5imxA1 | ||
| 5IUG | Predicted | e5iugA1 | ||
| 5IUH | Predicted | e5iuhA1 | ||
| 5IUI | Predicted | e5iuiA1 | ||
| 5KZ0 | Predicted | e5kz0A1 | ||
| 6CDT | Predicted | e6cdtA1 | ||
| 6E0R | Predicted | e6e0rA1 | ||
| 6EBW | Predicted | e6ebwA1 | ||
| 6EDL | Predicted | e6edlA1 | ||
| 6MX8 | Predicted | e6mx8A1 |