PDB ligand accession: 67D
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QPCNFYXTDYZQFI-UGTJMOTHSA-N
SMILES: c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OCC3C(C(C(O3)n4cnc5c4ncn6c5ncc6)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Tryptamines and derivatives
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5I2E | Download | Experimental | e5i2eA1 e5i2eB1 | HIT-like HIT-like | LigPlot |