Target
Signal transducer and activator of transcription 3
Ligand
BDBM50335409
Substrate
n/a
Meas. Tech.
ChEMBL_701933 (CHEMBL1657357)
Kd
>50000±n/a nM
Citation
 Shahani, VMYue, PHaftchenary, SZhao, WLukkarila, JLZhang, XBall, DNona, CGunning, PTTurkson, J Identification of Purine-Scaffold Small-Molecule Inhibitors of Stat3 Activation by QSAR Studies. ACS Med Chem Lett 2:79-84 (2011) [PubMed]  Article 
Target
Name:
Signal transducer and activator of transcription 3
Synonyms:
Acute-phase response factor | Aprf | STAT3 alpha | STAT3_MOUSE | Signal transducer and activator of transcription 3 | Stat3 | Transcription Factor STAT3
Type:
Cytosolic Transcription Factor
Mol. Mass.:
88050.28
Organism:
Mus musculus (mouse)
Description:
Bacterially expressed protein was used in the FP assay.
Residue:
770
Sequence:
MAQWNQLQQLDTRYLEQLHQLYSDSFPMELRQFLAPWIESQDWAYAASKESHATLVFHNLLGEIDQQYSRFLQESNVLYQHNLRRIKQFLQSRYLEKPMEIARIVARCLWEESRLLQTAATAAQQGGQANHPTAAVVTEKQQMLEQHLQDVRKRVQDLEQKMKVVENLQDDFDFNYKTLKSQGDMQDLNGNNQSVTRQKMQQLEQMLTALDQMRRSIVSELAGLLSAMEYVQKTLTDEELADWKRRQQIACIGGPPNICLDRLENWITSLAESQLQTRQQIKKLEELQQKVSYKGDPIVQHRPMLEERIVELFRNLMKSAFVVERQPCMPMHPDRPLVIKTGVQFTTKVRLLVKFPELNYQLKIKVCIDKDSGDVAALRGSRKFNILGTNTKVMNMEESNNGSLSAEFKHLTLREQRCGNGGRANCDASLIVTEELHLITFETEVYHQGLKIDLETHSLPVVVISNICQMPNAWASILWYNMLTNNPKNVNFFTKPPIGTWDQVAEVLSWQFSSTTKRGLSIEQLTTLAEKLLGPGVNYSGCQITWAKFCKENMAGKGFSFWVWLDNIIDLVKKYILALWNEGYIMGFISKERERAILSTKPPGTFLLRFSESSKEGGVTFTWVEKDISGKTQIQSVEPYTKQQLNNMSFAEIIMGYKIMDATNILVSPLVYLYPDIPKEEAFGKYCRPESQEHPEADPGSAAPYLKTKFICVTPTTCSNTIDLPMSPRTLDSLMQFGNNGEGAEPSAGGQFESLTFDMDLTSECATSPM
  
Inhibitor
Name:
BDBM50335409
Synonyms:
2-(2-((tert-butoxycarbonyl)(pentyl)amino)-6-morpholino-9H-purin-9-yl)acetic acid | CHEMBL1651695
Type:
Small organic molecule
Emp. Form.:
C21H32N6O5
Mol. Mass.:
448.516
SMILES:
CCCCCN(C(=O)OC(C)(C)C)c1nc(N2CCOCC2)c2ncn(CC(O)=O)c2n1
Structure:
Search PDB for entries with ligand similarity: