Reaction Details Report a problem with these data
Target
T cell receptor alpha variable 4
Ligand
BDBM50533
Substrate
n/a
IC50
3838±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:
BDBM50533
Synonyms:
3,4,5-trihydroxy-N'-((1E)-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylene)benzohydrazide | 3,4,5-trihydroxy-N-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzylidene]amino]benzamide | 3,4,5-trihydroxy-N-[[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]methylideneamino]benzamide | 3,4,5-trihydroxy-N-[[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzylidene]amino]benzamide | 3,4,5-trihydroxy-N-[[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]benzamide | MLS000673324 | N-[[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3,4,5-tris(oxidanyl)benzamide | SMR000314565 | cid_3618145
Type:
Small organic molecule
Emp. Form.:
C19H17N5O7
Mol. Mass.:
427.3676
SMILES:
COc1ccc([CH+][N-]NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cc(cn1)[N+]([O-])=O
Structure:
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