PDB ligand accession: CB3
DrugBank: DB03541
PubChem: 443388;5281971;135438608;
ChEMBL:
InChI Key: LTKHPMDRMUCUEB-IBGZPJMESA-N
SMILES: C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
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 |
|---|---|---|---|---|---|
| 1TDU | Download | Experimental | e1tduA1 e1tduB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 6NNR | Download | Experimental | e6nnrA1 e6nnrB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1DNA | Download | Experimental | e1dnaA1 e1dnaB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1BQ1 | Download | Experimental | e1bq1A1 e1bq1B1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 2FTO | Download | Experimental | e2ftoX1 | Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1AN5 | Download | Experimental | e1an5A1 e1an5B1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1TRG | Download | Experimental | e1trgA1 | Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1ZPR | Download | Experimental | e1zprA1 e1zprB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 6CDZ | Download | Experimental | e6cdzA1 e6cdzB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1FWM | Download | Experimental | e1fwmA1 e1fwmB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1KCE | Download | Experimental | e1kceA1 e1kceB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1DDU | Download | Experimental | e1dduA1 e1dduB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1KZJ | Download | Experimental | e1kzjA1 e1kzjF1 e1kzjB1 e1kzjC1 e1kzjD1 e1kzjE1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1NCE | Download | Experimental | e1nceA1 e1nceB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 2TSC | Download | Experimental | e2tscA1 e2tscB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 1AIQ | Download | Experimental | e1aiqA1 e1aiqB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
| 4GEV | Download | Experimental | e4gevA1 e4gevB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |