Reaction Details Report a problem with these data
Target
T cell receptor alpha variable 4
Ligand
BDBM48684
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:
BDBM48684
Synonyms:
(6E)-2-bromanyl-6-[[2-(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)hydrazinyl]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one | (6E)-2-bromo-6-[[2-(1-naphthalen-1-yltetrazol-5-yl)hydrazinyl]methylidene]-4-nitrocyclohexa-2,4-dien-1-one | (6E)-2-bromo-6-[[N'-[1-(1-naphthyl)tetrazol-5-yl]hydrazino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one | (6E)-2-bromo-6-[[[1-(1-naphthalenyl)-5-tetrazolyl]hydrazo]methylidene]-4-nitro-1-cyclohexa-2,4-dienone | 2-Bromo-6-[(1-naphthalen-1-yl-1H-tetrazol-5-yl)-hydrazonomethyl]-4-nitro-phenol | MLS000035533 | SMR000123076 | cid_5763525
Type:
Small organic molecule
Emp. Form.:
C18H12BrN7O3
Mol. Mass.:
454.237
SMILES:
Oc1c(Br)cc(cc1CN=Nc1nnnn1-c1cccc2ccccc12)[N+]([O-])=O |w:10.11|
Structure:
Search PDB for entries with ligand similarity: