PDB ligand accession: ORN
DrugBank: DB00129
PubChem: 6262;88747248;
ChEMBL:
InChI Key: AHLPHDHHMVZTML-BYPYZUCNSA-N
SMILES: C(CC(C(=O)O)N)CN
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 |
|---|---|---|---|---|---|
| 1JDB | Download | Experimental | e1jdbB6 e1jdbB3 e1jdbE6 e1jdbE3 e1jdbH6 e1jdbH3 e1jdbK6 e1jdbK3 | Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 1BXR | Download | Experimental | e1bxrA6 e1bxrA3 e1bxrC6 e1bxrC3 e1bxrE6 e1bxrE3 e1bxrG6 e1bxrG3 | Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 1A9X | Download | Experimental | e1a9xA6 e1a9xA3 e1a9xC6 e1a9xC3 e1a9xE6 e1a9xE3 e1a9xG6 e1a9xG3 | Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 1T36 | Download | Experimental | e1t36A6 e1t36A3 e1t36C6 e1t36C3 e1t36E6 e1t36E3 e1t36G6 e1t36G3 | Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 1KEE | Download | Experimental | e1keeA6 e1keeA3 e1keeC6 e1keeC7 e1keeE6 e1keeE3 e1keeG6 e1keeG3 | Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 1CS0 | Download | Experimental | e1cs0A6 e1cs0A3 e1cs0C6 e1cs0C3 e1cs0E6 e1cs0E3 e1cs0G6 e1cs0G3 | Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 1C3O | Download | Experimental | e1c3oA6 e1c3oA3 e1c3oC6 e1c3oC3 e1c3oE6 e1c3oE3 e1c3oG6 e1c3oG3 | Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 1CE8 | Download | Experimental | e1ce8B2 e1ce8A1 e1ce8A2 e1ce8D2 e1ce8C1 e1ce8F2 e1ce8E1 e1ce8E2 e1ce8G4 e1ce8H2 e1ce8G1 | The "swivelling" beta/beta/alpha domains HTH Protein kinase/SAICAR synthase/ATP-grasp The "swivelling" beta/beta/alpha domains HTH The "swivelling" beta/beta/alpha domains HTH Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like The "swivelling" beta/beta/alpha domains HTH | LigPlot |
| 1C30 | Download | Experimental | e1c30G6 e1c30G3 | Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 1M6V | Download | Experimental | e1m6vA6 e1m6vA3 e1m6vC6 e1m6vC3 e1m6vE6 e1m6vE3 e1m6vG6 e1m6vG3 | Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp Methylglyoxal synthase-like Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |