PDB ligand accession: 3HI
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: CZBPKFICAYVHHM-JWQCQUIFSA-N
SMILES: CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O
Drug action: n/a
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 | LigPlot |
---|---|---|---|---|---|
3CCT | Download | Experimental | e3cctA1 e3cctA2 e3cctB2 e3cctC1 e3cctC2 e3cctD2 e3cctC2 e3cctD1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |