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 |
---|---|---|---|---|
P29323 | Download | Predicted | P29323_F1_nD2 P29323_F1_nD6 P29323_F1_nD1 | EGF-like Protein kinase/SAICAR synthase/ATP-grasp jelly-roll |
1B4F | Predicted | e1b4fG1 e1b4fB1 e1b4fD1 e1b4fF1 e1b4fH1 e1b4fC2 e1b4fE2 e1b4fA2 | ||
1F0M | Predicted | e1f0mA1 | ||
2QBX | Predicted | e2qbxA1 e2qbxB1 | ||
3ZFM | Predicted | e3zfmA1 |