PDB ligand accession: XIN
DrugBank: DB09079
InChI Key: XZXHXSATPCNXJR-ZIADKAODSA-N
SMILES: CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indolecarboxylic acids and derivatives
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic 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 |