Ki Summary

Reaction Details

Report a problem with these data

Target

Signal transducer and activator of transcription 3

Ligand

BDBM50569086

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2107571 (CHEMBL4816246)

29±n/a nM

Citation

Gao, D; Jin, N; Fu, Y; Zhu, Y; Wang, Y; Wang, T; Chen, Y; Zhang, M; Xiao, Q; Huang, M; Li, Y Rational drug design of benzothiazole-based derivatives as potent signal transducer and activator of transcription 3 (STAT3) signaling pathway inhibitors. Eur J Med Chem216:0 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Signal transducer and activator of transcription 3

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:

MAQWNQLQQLDTRYLEQLHQLYSDSFPMELRQFLAPWIESQDWAYAASKESHATLVFHNL
LGEIDQQYSRFLQESNVLYQHNLRRIKQFLQSRYLEKPMEIARIVARCLWEESRLLQTAA
TAAQQGGQANHPTAAVVTEKQQMLEQHLQDVRKRVQDLEQKMKVVENLQDDFDFNYKTLK
SQGDMQDLNGNNQSVTRQKMQQLEQMLTALDQMRRSIVSELAGLLSAMEYVQKTLTDEEL
ADWKRRQQIACIGGPPNICLDRLENWITSLAESQLQTRQQIKKLEELQQKVSYKGDPIVQ
HRPMLEERIVELFRNLMKSAFVVERQPCMPMHPDRPLVIKTGVQFTTKVRLLVKFPELNY
QLKIKVCIDKDSGDVAALRGSRKFNILGTNTKVMNMEESNNGSLSAEFKHLTLREQRCGN
GGRANCDASLIVTEELHLITFETEVYHQGLKIDLETHSLPVVVISNICQMPNAWASILWY
NMLTNNPKNVNFFTKPPIGTWDQVAEVLSWQFSSTTKRGLSIEQLTTLAEKLLGPGVNYS
GCQITWAKFCKENMAGKGFSFWVWLDNIIDLVKKYILALWNEGYIMGFISKERERAILST
KPPGTFLLRFSESSKEGGVTFTWVEKDISGKTQIQSVEPYTKQQLNNMSFAEIIMGYKIM
DATNILVSPLVYLYPDIPKEEAFGKYCRPESQEHPEADPGSAAPYLKTKFICVTPTTCSN
TIDLPMSPRTLDSLMQFGNNGEGAEPSAGGQFESLTFDMELTSECATSPM

BDBM50569086

n/a

Name

BDBM50569086

Synonyms:

CHEMBL4868479

Type

Small organic molecule

Emp. Form.

C57H65N9O16

Mol. Mass.

1132.1767

SMILES

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r,wU:62.69,75.85,wD:20.20,8.8,4.3,66.73,76.84,(37.77,-13.78,;37.87,-15.3,;39.26,-15.99,;36.6,-16.14,;35.21,-15.45,;33.9,-16.3,;33.98,-17.86,;35.37,-18.55,;32.72,-18.7,;32.81,-20.24,;34.18,-20.91,;34.26,-22.46,;35.63,-23.15,;36.9,-22.31,;38.3,-22.92,;36.81,-20.78,;35.45,-20.09,;31.35,-17.95,;31.23,-16.39,;32.51,-15.54,;29.86,-15.71,;29.86,-14.16,;28.2,-13.91,;27.46,-15.41,;28.66,-16.58,;28.55,-18.12,;27.21,-18.86,;29.87,-18.91,;29.84,-20.44,;28.5,-21.21,;27.16,-20.44,;28.5,-22.76,;29.83,-23.53,;29.83,-25.08,;28.49,-25.85,;27.15,-25.07,;27.15,-23.53,;25.65,-25.47,;24.56,-24.38,;25.24,-26.96,;28.48,-27.39,;29.82,-28.17,;31.14,-27.41,;32.47,-28.18,;32.46,-29.72,;33.8,-30.5,;31.13,-30.48,;29.8,-29.71,;28.47,-30.47,;27.14,-29.7,;25.81,-30.47,;24.48,-29.7,;23.14,-30.48,;24.48,-28.16,;25.81,-27.38,;27.15,-28.16,;35.12,-13.94,;36.41,-13.08,;33.76,-13.26,;32.22,-13.89,;31.12,-12.63,;31.98,-11.2,;33.41,-11.79,;34.57,-10.79,;36,-11.37,;34.39,-9.24,;35.63,-8.29,;37.05,-8.88,;38.26,-7.94,;39.68,-8.52,;39.91,-10.03,;40.89,-7.59,;35.42,-6.77,;34,-6.18,;36.66,-5.82,;36.46,-4.27,;35.04,-3.69,;34.83,-2.17,;33.82,-4.62,;37.67,-3.34,;37.47,-1.82,;39.09,-3.92,)|

Structure