Reaction Details Report a problem with these data
Target
Signal transducer and activator of transcription 3
Ligand
BDBM50236733
Substrate
n/a
Meas. Tech.
ChEMBL_1660397 (CHEMBL4010009)
Ki
2420±n/a nM
Citation
 Yu, W; Li, C; Zhang, W; Xia, Y; Li, S; Lin, JY; Yu, K; Liu, M; Yang, L; Luo, J; Chen, Y; Sun, H; Kong, L Discovery of an Orally Selective Inhibitor of Signal Transducer and Activator of Transcription 3 Using Advanced Multiple Ligand Simultaneous Docking. J Med Chem 60:2718-2731 (2017) [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:
BDBM50236733
Synonyms:
CHEMBL4096680
Type:
Small organic molecule
Emp. Form.:
C20H20N4O4S
Mol. Mass.:
412.462
SMILES:
NS(=O)(=O)c1cccc2C(=O)C(Nc3ccccc3N3CCNCC3)=CC(=O)c12 |c:26|
Structure:
Search PDB for entries with ligand similarity: