Reaction Details Report a problem with these data
Target
Signal transducer and activator of transcription 3
Ligand
BDBM50433933
Substrate
n/a
Meas. Tech.
ChEMBL_960378 (CHEMBL2383240)
Ki
2500±n/a nM
Citation
 Yu, W; Xiao, H; Lin, J; Li, C Discovery of novel STAT3 small molecule inhibitors via in silico site-directed fragment-based drug design. J Med Chem 56:4402-12 (2013) [PubMed]  Article 
Target
Name:
Signal transducer and activator of transcription 3
Synonyms:
APRF | STAT3 | STAT3_HUMAN | Signal transducer and activator of transcription 3 | Signal transducer and activator of transcription 3 (STAT3)
Type:
Protein
Mol. Mass.:
88064.31
Organism:
Homo sapiens (Human)
Description:
P40763
Residue:
770
Sequence:
MAQWNQLQQLDTRYLEQLHQLYSDSFPMELRQFLAPWIESQDWAYAASKESHATLVFHNLLGEIDQQYSRFLQESNVLYQHNLRRIKQFLQSRYLEKPMEIARIVARCLWEESRLLQTAATAAQQGGQANHPTAAVVTEKQQMLEQHLQDVRKRVQDLEQKMKVVENLQDDFDFNYKTLKSQGDMQDLNGNNQSVTRQKMQQLEQMLTALDQMRRSIVSELAGLLSAMEYVQKTLTDEELADWKRRQQIACIGGPPNICLDRLENWITSLAESQLQTRQQIKKLEELQQKVSYKGDPIVQHRPMLEERIVELFRNLMKSAFVVERQPCMPMHPDRPLVIKTGVQFTTKVRLLVKFPELNYQLKIKVCIDKDSGDVAALRGSRKFNILGTNTKVMNMEESNNGSLSAEFKHLTLREQRCGNGGRANCDASLIVTEELHLITFETEVYHQGLKIDLETHSLPVVVISNICQMPNAWASILWYNMLTNNPKNVNFFTKPPIGTWDQVAEVLSWQFSSTTKRGLSIEQLTTLAEKLLGPGVNYSGCQITWAKFCKENMAGKGFSFWVWLDNIIDLVKKYILALWNEGYIMGFISKERERAILSTKPPGTFLLRFSESSKEGGVTFTWVEKDISGKTQIQSVEPYTKQQLNNMSFAEIIMGYKIMDATNILVSPLVYLYPDIPKEEAFGKYCRPESQEHPEADPGSAAPYLKTKFICVTPTTCSNTIDLPMSPRTLDSLMQFGNNGEGAEPSAGGQFESLTFDMELTSECATSPM
  
Inhibitor
Name:
BDBM50433933
Synonyms:
CHEMBL2380761
Type:
Small organic molecule
Emp. Form.:
C15H11N3O4S
Mol. Mass.:
329.331
SMILES:
NS(=O)(=O)c1cccc2C(=O)C(Nc3cccnc3)=CC(=O)c12 |c:19|
Structure:
Search PDB for entries with ligand similarity: