BDBM115097 MLS003115861::SMR001831427::[2-amino-3-(benzenesulfonyloxy)phenyl] benzenesulfonate::[2-azanyl-3-(phenylsulfonyloxy)phenyl] benzenesulfonate::benzenesulfonic acid (2-amino-3-besyloxy-phenyl) ester::benzenesulfonic acid [2-amino-3-(benzenesulfonyloxy)phenyl] ester::cid_328728

SMILES Cc1c(O[C@@H](c2ccncc2)c2ccc(C(N)=O)cc2)c(F)cc2c1OCCC2=O

InChI Key InChIKey=LQTOXLMJIIGBGG-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 115097   

TargetHLA-DR4 protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 115097BDBM115097((*R)-4-(((6-fluoro-8-methyl-4-oxochroman-7-yl)oxy)...)
Affinity DataIC50: 330nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/18/2026
Entry Details
US Patent