Reaction Details Report a problem with these data
Target
T cell receptor alpha variable 4
Ligand
BDBM52864
Substrate
n/a
IC50
>94162±n/a nM
Citation
 PubChem, PC Fluorescence-based biochemical primary high throughput dose response assay to identify inhibitors of T-cell receptor (TCR)-CD3 interaction using a TAMRA-labeled TCR probe PubChem Bioassay (2013)[AID] 
Target
Name:
T cell receptor alpha variable 4
Synonyms:
TCRAV4S1 | TRAV4 | TVA4_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
12216.28
Organism:
Homo sapiens (Human)
Description:
A0A0B4J268
Residue:
109
Sequence:
MRQVARVIVFLTLSTLSLAKTTQPISMDSYEGQEVNITCSHNNIATNDYITWYQQFPSQGPRFIIQGYKTKVTNEVASLFIPADRKSSTLSLPRVSLSDTAVYYCLVGD
  
Inhibitor
Name:
BDBM52864
Synonyms:
4-[5-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanyl-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid | 4-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]benzoic acid | 4-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethenyl]-2-furanyl]benzoic acid | 4-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]vinyl]-2-furyl]benzoic acid | 4-{5-[(E)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-vinyl]-furan-2-yl}-benzoic acid | MLS000778527 | SMR000415321 | cid_1628000
Type:
Small organic molecule
Emp. Form.:
C17H13N3O5S
Mol. Mass.:
371.367
SMILES:
Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|
Structure:
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