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Attributes

UniProt ID
Protein Name
Circadian clock oscillator protein KaiA
Ligand Name
2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YMGUTVDFHHFZIJ-UHFFFAOYSA-N
SMILES
c1cc(c(cc1NC(=O)S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 5C5E
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Color Legend
Unassigned regionsLigand / hetero atomse5c5eA1e5c5eA2e5c5eB1e5c5eB2
ECOD domains from experimental PDB structures interacting with ligand 52M
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q79PF6n/a52M5c5ee5c5eA2A:154-284
Q79PF6n/a52M5c5ee5c5eB1B:1-153
Q79PF6n/a52M5c5ee5c5eB2B:154-284