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 |
---|---|---|---|---|
P16234 | Download | Predicted | P16234_F1_nD3 P16234_F1_nD5 | Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp |
5GRN | Predicted | e5grnA1 | ||
5K5X | Predicted | e5k5xA1 | ||
6A32 | Predicted | e6a32A1 |