Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1
Ligand
BDBM50545982
Substrate
n/a
Meas. Tech.
ChEMBL_2013351 (CHEMBL4666929)
Ki
0.560000±n/a nM
Citation
Zak, M; Hanan, EJ; Lupardus, P; Brown, DG; Robinson, C; Siu, M; Lyssikatos, JP; Romero, FA; Zhao, G; Kellar, T; Mendonca, R; Ray, NC; Goodacre, SC; Crackett, PH; McLean, N; Hurley, CA; Yuen, PW; Cheng, YX; Liu, X; Liimatta, M; Kohli, PB; Nonomiya, J; Salmon, G; Buckley, G; Lloyd, J; Gibbons, P; Ghilardi, N; Kenny, JR; Johnson, A Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg Med Chem Lett 29:1522-1531 (2019) [PubMed] Article
More Info.:
Target
Name:
Tyrosine-protein kinase JAK1
Synonyms:
JAK-1 | JAK1 | JAK1A | JAK1B | JAK1_HUMAN | Janus kinase 1 | Janus kinase 1 (JAK1) | Janus kinase 1 JAK1
Type:
Protein
Mol. Mass.:
133293.73
Organism:
Human
Description:
P23458
Residue:
1154
Sequence:
MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEELCIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTNDNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQDGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRINNVFKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLISSENEMNWFHSNDGGNVLYYEVMVTGNLGIQWRHKPNVVSVEKEKNKLKRKKLENKHKKDEEKNKIREEWNNFSYFPEITHIVIKESVVSINKQDNKKMELKLSSHEEALSFVSLVDGYFRLTADAHHYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVTCFEKSEQVQGAQKQFKNFQIEVQKGRYSLHGSDRSFPSLGDLMSHLKKQILRTDNISFMLKRCCQPKPREISNLLVATKKAQEWQPVYPMSQLSFDRILKKDLVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
Inhibitor
Name:
BDBM50545982
Synonyms:
CHEMBL4756876
Type:
Small organic molecule
Emp. Form.:
C17H10ClF3N6O2
Mol. Mass.:
422.749
SMILES:
FC(F)Oc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 |(22.91,-36.82,;23.68,-35.49,;25.22,-35.48,;22.91,-34.15,;23.67,-32.82,;25.21,-32.82,;25.98,-31.48,;25.19,-30.15,;25.95,-28.81,;23.66,-30.16,;22.88,-28.84,;22.91,-31.49,;21.37,-31.5,;20.87,-32.96,;19.33,-32.95,;18.86,-31.48,;20.12,-30.58,;20.13,-29.04,;18.8,-28.25,;17.45,-29.02,;18.81,-26.71,;17.56,-25.79,;18.05,-24.33,;19.59,-24.34,;20.63,-23.21,;22.12,-23.54,;22.59,-25.01,;21.55,-26.14,;20.05,-25.81,)|