Target
Albumin
Ligand
BDBM96316
Substrate
n/a
IC50
>94089±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of T-cell receptor (TCR)-CD3 interaction: Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of T-cell receptor (TCR)-CD3 interaction using a TAMRA-labeled BSA probe PubChem Bioassay (2013)[AID] 
Target
Name:
Albumin
Synonyms:
ALB | ALBU_BOVIN | Serum albumin | serum albumin precursor
Type:
PROTEIN
Mol. Mass.:
69288.15
Organism:
Bos taurus
Description:
ChEMBL_1502598
Residue:
607
Sequence:
MKWVTFISLLLLFSSAYSRGVFRRDTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
  
Inhibitor
Name:
BDBM96316
Synonyms:
2-Hydroxy-benzoic acid N'-[4-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyryl]-hydrazide | 2-hydroxy-N'-[1-oxo-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-thiazolidinyl]butyl]benzohydrazide | 2-hydroxy-N'-[4-[(5Z)-4-keto-5-(2-thenylidene)-2-thioxo-thiazolidin-3-yl]butanoyl]benzohydrazide | 2-hydroxy-N'-[4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide | 2-oxidanyl-N'-[4-[(5Z)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide | MLS000555084 | SMR000172060 | cid_1985081
Type:
Small organic molecule
Emp. Form.:
C19H17N3O4S3
Mol. Mass.:
447.551
SMILES:
Oc1ccccc1C(=O)NNC(=O)CCCN1C(=S)S\C(=C/c2cccs2)C1=O
Structure:
Search PDB for entries with ligand similarity: