PDB ligand accession: 5SF
DrugBank: DB12147
InChI Key: OLAHOMJCDNXHFI-UHFFFAOYSA-N
SMILES: CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic nitrogen compounds
- Class: Organonitrogen compounds
- Subclass: Amines
- Class: Organonitrogen compounds
- Superclass: Organic nitrogen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P22607 | Download | Predicted | P22607_F1_nD4 P22607_F1_nD2 P22607_F1_nD3 | Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich |
1RY7 | Predicted | e1ry7B2 e1ry7B1 | ||
2LZL | Predicted | e2lzlA1 e2lzlB1 | ||
4K33 | Predicted | e4k33A1 |