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 |
---|---|---|---|---|
P52333 | Download | Predicted | P52333_F1_nD6 P52333_F1_nD5 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp |
1YVJ | Predicted | e1yvjA1 | ||
3LXK | Predicted | e3lxkA1 | ||
3LXL | Predicted | e3lxlA1 | ||
3PJC | Predicted | e3pjcA1 | ||
3ZC6 | Predicted | e3zc6C1 e3zc6A1 e3zc6B1 e3zc6D1 | ||
3ZEP | Predicted | e3zepD1 e3zepA1 e3zepB1 e3zepC1 | ||
4HVD | Predicted | e4hvdA1 | ||
4HVG | Predicted | e4hvgA1 | ||
4HVH | Predicted | e4hvhA1 | ||
4HVI | Predicted | e4hviA1 | ||
4I6Q | Predicted | e4i6qA1 | ||
4QPS | Predicted | e4qpsC1 e4qpsA1 | ||
4QT1 | Predicted | e4qt1A1 | ||
4RIO | Predicted | e4rioA1 | ||
4V0G | Predicted | e4v0gA1 e4v0gB1 | ||
4Z16 | Predicted | e4z16A1 e4z16B1 e4z16C1 e4z16D1 | ||
5LWM | Predicted | e5lwmA1 | ||
5LWN | Predicted | e5lwnA1 | ||
5TOZ | Predicted | e5tozA1 | ||
5TTS | Predicted | e5ttsA1 | ||
5TTU | Predicted | e5ttuA1 | ||
5TTV | Predicted | e5ttvA1 | ||
5VO6 | Predicted | e5vo6A1 | ||
5W86 | Predicted | e5w86A1 e5w86C1 e5w86D1 e5w86B1 | ||
5WFJ | Predicted | e5wfjA1 | ||
6AAK | Predicted | e6aakB1 e6aakC1 e6aakD1 e6aakA1 | ||
6DA4 | Predicted | e6da4A1 | ||
6DB3 | Predicted | e6db3A1 | ||
6DB4 | Predicted | e6db4A1 | ||
6DUD | Predicted | e6dudA1 | ||
6GL9 | Predicted | e6gl9A1 e6gl9B1 | ||
6GLA | Predicted | e6glaA1 e6glaB1 | ||
6GLB | Predicted | e6glbA1 e6glbB1 | ||
6HZV | Predicted | e6hzvB1 e6hzvA1 e6hzvC1 e6hzvD1 | ||
6NY4 | Predicted | e6ny4A1 |