Reaction Details Report a problem with these data
Target
T cell receptor alpha variable 4
Ligand
BDBM61223
Substrate
n/a
IC50
>94115±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:
BDBM61223
Synonyms:
1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea | 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea | 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea | 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea | MLS001044499 | SMR000415003 | cid_5708135
Type:
Small organic molecule
Emp. Form.:
C19H18N6O4S
Mol. Mass.:
426.449
SMILES:
Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C |w:7.6|
Structure:
Search PDB for entries with ligand similarity: