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 |
---|---|---|---|---|
Q13546 | Download | Predicted | Q13546_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
4ITH | Predicted | e4ithB2 e4ithA1 | ||
4ITI | Predicted | e4itiB2 e4itiA2 | ||
4ITJ | Predicted | e4itjB1 e4itjA2 | ||
4NEU | Predicted | e4neuA2 e4neuB1 | ||
5HX6 | Predicted | e5hx6A1 e5hx6B1 | ||
5TX5 | Predicted | e5tx5A1 e5tx5B1 | ||
6AC5 | Predicted | e6ac5A1 | ||
6C3E | Predicted | e6c3eB1 e6c3eA1 | ||
6C4D | Predicted | e6c4dD1 e6c4dA1 e6c4dB1 e6c4dC1 | ||
6HHO | Predicted | e6hhoA1 e6hhoB1 | ||
6NW2 | Predicted | e6nw2A1 e6nw2B1 | ||
6NYH | Predicted | e6nyhA1 e6nyhB1 | ||
6OCQ | Predicted | e6ocqB1 e6ocqA1 | ||
6R5F | Predicted | e6r5fA1 e6r5fB1 e6r5fC1 e6r5fD1 | ||
6RLN | Predicted | e6rlnB1 e6rlnA1 |