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 |
---|---|---|---|---|
Q16832 | Download | Predicted | Q16832_F1_nD4 Q16832_F1_nD1 Q16832_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp jelly-roll jelly-roll |
2WUH | Predicted | e2wuhA1 | ||
2Z4F | Predicted | e2z4fA1 | ||
6FER | Predicted | e6ferA1 e6ferC1 e6ferD1 e6ferE1 e6ferF1 e6ferG1 e6ferH1 e6ferI1 e6ferK1 e6ferL1 e6ferB1 e6ferJ1 |