PDB ligand accession: 117
DrugBank: DB01076
InChI Key: XUKUURHRXDUEBC-KAYWLYCHSA-N
SMILES: CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrroles
- Subclass: Substituted pyrroles
- Class: Pyrroles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
Q92769 | Download | Predicted | Q92769_F1_nD1 | HAD domain-related |
3MAX | Predicted | e3maxA1 e3maxB1 e3maxC1 | ||
4LXZ | Predicted | e4lxzA1 e4lxzB1 e4lxzC1 | ||
4LY1 | Predicted | e4ly1A1 e4ly1B1 e4ly1C1 | ||
5IWG | Predicted | e5iwgA1 e5iwgB1 e5iwgC1 | ||
5IX0 | Predicted | e5ix0A1 e5ix0C1 | ||
6G3O | Predicted | e6g3oA1 e6g3oB1 e6g3oC1 |