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 |
|---|---|---|---|---|
| P53355 | Download | Predicted | P53355_F1_nD1 P53355_F1_nD7 | Protein kinase/SAICAR synthase/ATP-grasp DEATH domain |
| 1IG1 | Predicted | e1ig1A1 | ||
| 1JKK | Predicted | e1jkkA1 | ||
| 1JKL | Predicted | e1jklA1 | ||
| 1JKS | Predicted | e1jksA1 | ||
| 1JKT | Predicted | e1jktA1 e1jktB1 | ||
| 1P4F | Predicted | e1p4fA1 | ||
| 1WVW | Predicted | e1wvwA1 | ||
| 1WVX | Predicted | e1wvxA1 | ||
| 1WVY | Predicted | e1wvyA1 | ||
| 2W4J | Predicted | e2w4jA1 | ||
| 2W4K | Predicted | e2w4kA1 | ||
| 2X0G | Predicted | e2x0gA1 | ||
| 2XUU | Predicted | e2xuuA1 | ||
| 2XZS | Predicted | e2xzsA1 e2xzsB1 | ||
| 2Y0A | Predicted | e2y0aA1 | ||
| 2Y4P | Predicted | e2y4pA2 e2y4pC2 e2y4pD1 e2y4pB1 | ||
| 2YAK | Predicted | e2yakA1 | ||
| 3DFC | Predicted | e3dfcB1 | ||
| 3DGK | Predicted | e3dgkA1 | ||
| 3EH9 | Predicted | e3eh9A1 | ||
| 3EHA | Predicted | e3ehaA1 | ||
| 3F5G | Predicted | e3f5gA1 | ||
| 3F5U | Predicted | e3f5uA1 | ||
| 3GU4 | Predicted | e3gu4A1 | ||
| 3GU5 | Predicted | e3gu5A1 | ||
| 3GU6 | Predicted | e3gu6A1 | ||
| 3GU7 | Predicted | e3gu7A1 | ||
| 3GU8 | Predicted | e3gu8A1 | ||
| 3GUB | Predicted | e3gubA1 | ||
| 3ZXT | Predicted | e3zxtA1 e3zxtB2 e3zxtD2 e3zxtC2 | ||
| 4B4L | Predicted | e4b4lA1 | ||
| 4PF4 | Predicted | e4pf4A1 | ||
| 4TL0 | Predicted | e4tl0A1 | ||
| 4TXC | Predicted | e4txcA1 | ||
| 4UV0 | Predicted | e4uv0A1 | ||
| 4YO4 | Predicted | e4yo4A1 | ||
| 4YPD | Predicted | e4ypdA1 | ||
| 5AUT | Predicted | e5autA1 | ||
| 5AUU | Predicted | e5auuA1 | ||
| 5AUV | Predicted | e5auvA1 | ||
| 5AUW | Predicted | e5auwA1 | ||
| 5AUX | Predicted | e5auxA1 | ||
| 5AUY | Predicted | e5auyA1 | ||
| 5AUZ | Predicted | e5auzA1 | ||
| 5AV0 | Predicted | e5av0A1 | ||
| 5AV1 | Predicted | e5av1A1 | ||
| 5AV2 | Predicted | e5av2A1 | ||
| 5AV3 | Predicted | e5av3A1 | ||
| 5AV4 | Predicted | e5av4A1 | ||
| 6AAR | Predicted | e6aarA1 | ||
| 6FHA | Predicted | e6fhaA1 | ||
| 6FHB | Predicted | e6fhbA1 | ||
| 6IN4 | Predicted | e6in4A1 | ||
| 6QMO | Predicted | e6qmoA1 | ||
| 6QN4 | Predicted | e6qn4A1 |