PDB ligand accession: GGX
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: BTNNHZWTVQDFCK-YPINIOOUSA-N
SMILES: Cc1cccc(n1)CN2C=CN(C2=O)C(C(=O)NC(Cc3ccccc3)C(CC(Cc4ccc(cc4)c5ccccn5)NC(=O)C(C(C)(C)C)NC(=O)OC)O)C(C)(C)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3GGX | Download | Experimental | e3ggxA1 e3ggxB1 e3ggxC1 e3ggxB1 e3ggxC1 e3ggxD1 e3ggxE1 e3ggxF1 e3ggxG1 e3ggxH1 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |