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 |
---|---|---|---|---|
Q13557 | Download | Predicted | Q13557_F1_nD2 Q13557_F1_nD1 | Cystatin-like Protein kinase/SAICAR synthase/ATP-grasp |
2VN9 | Predicted | e2vn9A1 e2vn9B1 | ||
2W2C | Predicted | e2w2cA1 e2w2cB1 e2w2cC1 e2w2cD1 e2w2cE1 e2w2cF1 e2w2cG1 e2w2cH1 e2w2cI1 e2w2cJ1 e2w2cK1 e2w2cL1 e2w2cM1 e2w2cN1 | ||
2WEL | Predicted | e2welA1 | ||
5VLO | Predicted | e5vloA1 e5vloB1 | ||
6AYW | Predicted | e6aywA1 e6aywB1 |