PDB ligand accession: 009
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DCJGHBWTJFHQCR-UEHMVRIRSA-N
SMILES: CN(C)c1cccc(c1)CNCC(C(Cc2ccccc2)NC(=O)C3(CN(C(=O)N3)Cc4ccccc4)Cc5ccccc5)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylbutylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3CKR | Download | Experimental | e3ckrA2 e3ckrA3 e3ckrB2 e3ckrB3 e3ckrC2 e3ckrC3 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |