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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM50243904
Substrate
n/a
Meas. Tech.
ChEMBL_1672940 (CHEMBL4022969)
IC50
11±n/a nM
Citation
 Vazquez, ML; Kaila, N; Strohbach, JW; Trzupek, JD; Brown, MF; Flanagan, ME; Mitton-Fry, MJ; Johnson, TA; TenBrink, RE; Arnold, EP; Basak, A; Heasley, SE; Kwon, S; Langille, J; Parikh, MD; Griffin, SH; Casavant, JM; Duclos, BA; Fenwick, AE; Harris, TM; Han, S; Caspers, N; Dowty, ME; Yang, X; Banker, ME; Hegen, M; Symanowicz, PT; Li, L; Wang, L; Lin, TH; Jussif, J; Clark, JD; Telliez, JB; Robinson, RP; Unwalla, R Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J Med Chem 61:1130-1152 (2018) [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:
BDBM50243904
Synonyms:
CHEMBL4103435
Type:
Small organic molecule
Emp. Form.:
C14H18F3N5O2S
Mol. Mass.:
377.385
SMILES:
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(7.09,-13.36,;8.42,-14.12,;9.75,-13.35,;10.15,-11.85,;11.64,-12.25,;11.24,-13.74,;12.97,-11.47,;14.3,-12.23,;15.06,-13.56,;13.52,-13.56,;15.63,-11.46,;16.97,-12.24,;18.3,-11.47,;19.63,-12.24,;18.3,-9.93,;19.63,-10.69,;8.43,-15.66,;7.1,-16.43,;7.1,-17.98,;8.43,-18.75,;9.77,-17.97,;11.24,-18.44,;12.14,-17.18,;11.23,-15.94,;9.76,-16.43,)|
Structure:
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