Reaction Details Report a problem with these data
Target
Signal transducer and activator of transcription 3 [127-722]
Ligand
BDBM20246
Substrate
BDBM20245
Meas. Tech.
Fluorescence-Polarization-Based Binding Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
7300±900 nM
Citation
 Chen, J; Nikolovska-Coleska, Z; Yang, CY; Gomez, C; Gao, W; Krajewski, K; Jiang, S; Roller, P; Wang, S Design and synthesis of a new, conformationally constrained, macrocyclic small-molecule inhibitor of STAT3 via 'click chemistry'. Bioorg Med Chem Lett 17:3939-42 (2007) [PubMed]  Article 
Target
Name:
Signal transducer and activator of transcription 3 [127-722]
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.:
67962.98
Organism:
Mus musculus (mouse)
Description:
Purified recombinant STAT3 protein (residues 127-722).
Residue:
596
Sequence:
GQANHPTAAVVTEKQQMLEQHLQDVRKRVQDLEQKMKVVENLQDDFDFNYKTLKSQGDMQDLNGNNQSVTRQKMQQLEQMLTALDQMRRSIVSELAGLLSAMEYVQKTLTDEELADWKRRQQIACIGGPPNICLDRLENWITSLAESQLQTRQQIKKLEELQQKVSYKGDPIVQHRPMLEERIVELFRNLMKSAFVVERQPCMPMHPDRPLVIKTGVQFTTKVRLLVKFPELNYQLKIKVCIDKDSGDVAALRGSRKFNILGTNTKVMNMEESNNGSLSAEFKHLTLREQRCGNGGRANCDASLIVTEELHLITFETEVYHQGLKIDLETHSLPVVVISNICQMPNAWASILWYNMLTNNPKNVNFFTKPPIGTWDQVAEVLSWQFSSTTKRGLSIEQLTTLAEKLLGPGVNYSGCQITWAKFCKENMAGKGFSFWVWLDNIIDLVKKYILALWNEGYIMGFISKERERAILSTKPPGTFLLRFSESSKEGGVTFTWVEKDISGKTQIQSVEPYTKQQLNNMSFAEIIMGYKIMDATNILVSPLVYLYPDIPKEEAFGKYCRPESQEHPEADPGSAAPYLKTKFICVTPTTCSNTI
  
Inhibitor
Name:
BDBM20246
Synonyms:
4-[(2S)-2-{[(1S)-1-{[(6S,9S,12S)-12-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-9-[(1R)-1-hydroxyethyl]-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14(17),15-dien-6-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-acetamidoethyl]phenoxyphosphonic acid | macrocyclic peptidomimetic 2
Type:
Small organic molecule
Emp. Form.:
C41H57N10O12P
Mol. Mass.:
912.9248
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H]1CCCCn2cc(C[C@H](NC(=O)[C@@H](NC1=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)nn2 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM20245
Synonyms:
5-carboxyfluorescein (5-FAM)-beta(Ala)-beta(Ala)-G-pY*LPQTV | beta(Ala)-beta(Ala)-G-pYLPQTV
Type:
Fluorescent Peptide
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: