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 |
---|---|---|---|---|
P29597 | Download | Predicted | P29597_F1_nD5 | Protein kinase/SAICAR synthase/ATP-grasp |
3LXN | Predicted | e3lxnA1 | ||
3LXP | Predicted | e3lxpA1 | ||
3NYX | Predicted | e3nyxA1 | ||
3NZ0 | Predicted | e3nz0A1 | ||
3ZON | Predicted | e3zonA1 | ||
4GFO | Predicted | e4gfoA1 | ||
4GIH | Predicted | e4gihA1 | ||
4GII | Predicted | e4giiA1 | ||
4GJ2 | Predicted | e4gj2A1 | ||
4GJ3 | Predicted | e4gj3A1 | ||
4GVJ | Predicted | e4gvjA1 | ||
4OLI | Predicted | e4oliA1 e4oliA2 | ||
4PO6 | Predicted | e4po6A1 e4po6A2 e4po6A3 e4po6A4 | ||
4PY1 | Predicted | e4py1A1 | ||
4WOV | Predicted | e4wovB1 e4wovA1 | ||
5C01 | Predicted | e5c01A1 e5c01B1 | ||
5C03 | Predicted | e5c03A1 e5c03B1 | ||
5F1Z | Predicted | e5f1zA1 | ||
5F20 | Predicted | e5f20A1 | ||
5TKD | Predicted | e5tkdA1 e5tkdB1 | ||
5WAL | Predicted | e5walA1 | ||
6AAM | Predicted | e6aamA1 | ||
6DBK | Predicted | e6dbkA1 | ||
6DBM | Predicted | e6dbmA1 | ||
6NZE | Predicted | e6nzeB1 e6nzeA1 | ||
6NZF | Predicted | e6nzfB1 e6nzfA1 | ||
6NZH | Predicted | e6nzhA1 e6nzhB1 | ||
6NZP | Predicted | e6nzpB1 e6nzpA1 | ||
6NZQ | Predicted | e6nzqB1 e6nzqA1 | ||
6NZR | Predicted | e6nzrB1 e6nzrA1 |