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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM50548371
Substrate
n/a
Meas. Tech.
ChEMBL_2021999 (CHEMBL4675812)
IC50
261±n/a nM
Citation
 Gerstenberger, BS; Ambler, C; Arnold, EP; Banker, ME; Brown, MF; Clark, JD; Dermenci, A; Dowty, ME; Fensome, A; Fish, S; Hayward, MM; Hegen, M; Hollingshead, BD; Knafels, JD; Lin, DW; Lin, TH; Owen, DR; Saiah, E; Sharma, R; Vajdos, FF; Xing, L; Yang, X; Yang, X; Wright, SW Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases. J Med Chem 63:13561-13577 (2020) [PubMed]  Article 
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:
Homo sapiens (Human)
Description:
P23458
Residue:
1154
Sequence:
MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEELCIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTNDNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQDGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRINNVFKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLISSENEMNWFHSNDGGNVLYYEVMVTGNLGIQWRHKPNVVSVEKEKNKLKRKKLENKHKKDEEKNKIREEWNNFSYFPEITHIVIKESVVSINKQDNKKMELKLSSHEEALSFVSLVDGYFRLTADAHHYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVTCFEKSEQVQGAQKQFKNFQIEVQKGRYSLHGSDRSFPSLGDLMSHLKKQILRTDNISFMLKRCCQPKPREISNLLVATKKAQEWQPVYPMSQLSFDRILKKDLVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
  
Inhibitor
Name:
BDBM50548371
Synonyms:
CHEMBL4777969
Type:
Small organic molecule
Emp. Form.:
C20H17N9
Mol. Mass.:
383.4093
SMILES:
Cn1ccc(n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,25.31,(18.97,-17.08,;17.44,-17.24,;16.67,-18.58,;15.17,-18.25,;15.01,-16.73,;16.42,-16.1,;13.67,-15.96,;12.34,-16.73,;11.01,-15.96,;9.54,-16.43,;8.64,-15.19,;9.54,-13.94,;11.01,-14.42,;12.34,-13.65,;13.67,-14.42,;12.34,-12.11,;13.59,-11.19,;13.11,-9.73,;11.57,-9.73,;11.09,-11.19,;10.68,-8.49,;9.89,-9.82,;8.35,-9.8,;6.81,-9.79,;10.92,-6.97,;9.4,-6.73,;9.15,-8.25,;8.49,-5.48,;7.59,-4.24,)|
Structure:
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