DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Benzoate-coenzyme A ligase
Ligand Name
THIOPHENE-2-CARBOXYLIC ACID
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QERYCTSHXKAMIS-UHFFFAOYSA-N
SMILES
c1cc(sc1)C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 4RMN
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Color Legend
Unassigned regionsLigand / hetero atomse4rmnA1e4rmnA2e4rmnA3e4rmnA4e4rmnB1e4rmnB2e4rmnB3e4rmnB4
ECOD domains from experimental PDB structures interacting with ligand C21
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q93TK0n/aC214rmne4rmnA1A:412-523
Q93TK0n/aC214rmne4rmnA3A:160-339
Q93TK0n/aC214rmne4rmnB2B:412-524
Q93TK0n/aC214rmne4rmnB3B:160-339