PDB ligand accession: ABU
DrugBank: DB02530
PubChem: 119;6992099;
ChEMBL:
InChI Key: BTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES: C(CC(=O)O)CN
Drug action: inhibitor
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 |
|---|---|---|---|---|---|
| 8SI9 | Download | Experimental | e8si9A2 e8si9B2 e8si9C1 e8si9D2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6X3Z | Download | Experimental | e6x3zA2 e6x3zB2 e6x3zC1 e6x3zD2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 8DD3 | Download | Experimental | e8dd3A1 e8dd3B2 e8dd3C2 e8dd3D2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6X3W | Download | Experimental | e6x3wA1 e6x3wB1 e6x3wC2 e6x3wD2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6X3U | Download | Experimental | e6x3uA2 e6x3uB2 e6x3uC1 e6x3uD2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6X3T | Download | Experimental | e6x3tA1 e6x3tB1 e6x3tC1 e6x3tD1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 8SID | Download | Experimental | e8sidA2 e8sidB1 e8sidC2 e8sidD2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 7T0Z | Download | Experimental | e7t0zA2 e7t0zB1 e7t0zC2 e7t0zD2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 8DD2 | Download | Experimental | e8dd2A1 e8dd2B2 e8dd2C2 e8dd2D1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6X3V | Download | Experimental | e6x3vA2 e6x3vB1 e6x3vC1 e6x3vD1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6D6T | Download | Experimental | e6d6tA2 e6d6tB1 e6d6tC2 e6d6tD2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6X40 | Download | Experimental | e6x40A1 e6x40B2 e6x40C1 e6x40D2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6X3X | Download | Experimental | e6x3xA1 e6x3xB2 e6x3xC2 e6x3xD1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 8SGO | Download | Experimental | e8sgoA2 e8sgoB2 e8sgoC2 e8sgoD1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6D6U | Download | Experimental | e6d6uA1 e6d6uB1 e6d6uD2 e6d6uC1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |