Attributes
UniProt ID
Protein Name
Benzoate-coenzyme A ligase
Ligand Name
2-methyl-1,3-thiazole-5-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QCXCIYPOMMIBHO-UHFFFAOYSA-N
SMILES
Cc1ncc(s1)C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6M2T
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Color Legend
Unassigned regionsLigand / hetero atomse6m2tA1e6m2tA2e6m2tA3e6m2tA4e6m2tB1e6m2tB2e6m2tB3e6m2tB4e6m2tC1e6m2tC2e6m2tC3e6m2tC4e6m2tD1e6m2tD2e6m2tD3e6m2tD4
ECOD domains from experimental PDB structures interacting with ligand 6V9
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q93TK0 | n/a | 6V9 | 6m2t | e6m2tA2 | A:160-339 |
| Q93TK0 | n/a | 6V9 | 6m2t | e6m2tA4 | A:412-523 |
| Q93TK0 | n/a | 6V9 | 6m2t | e6m2tB2 | B:160-339 |
| Q93TK0 | n/a | 6V9 | 6m2t | e6m2tB3 | B:412-523 |
| Q93TK0 | n/a | 6V9 | 6m2t | e6m2tC1 | C:160-339 |
| Q93TK0 | n/a | 6V9 | 6m2t | e6m2tC2 | C:412-523 |
| Q93TK0 | n/a | 6V9 | 6m2t | e6m2tD1 | D:160-339 |
| Q93TK0 | n/a | 6V9 | 6m2t | e6m2tD2 | D:412-523 |