PDB ligand accession: TZ0
DrugBank: DB15149
InChI Key: KEIPNCCJPRMIAX-HNNXBMFYSA-N
SMILES: COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Methoxybenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
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 |