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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM50391984
Substrate
n/a
Meas. Tech.
ChEMBL_851246 (CHEMBL2155758)
Ki
4.5±n/a nM
Citation
 Kulagowski, JJ; Blair, W; Bull, RJ; Chang, C; Deshmukh, G; Dyke, HJ; Eigenbrot, C; Ghilardi, N; Gibbons, P; Harrison, TK; Hewitt, PR; Liimatta, M; Hurley, CA; Johnson, A; Johnson, T; Kenny, JR; Bir Kohli, P; Maxey, RJ; Mendonca, R; Mortara, K; Murray, J; Narukulla, R; Shia, S; Steffek, M; Ubhayakar, S; Ultsch, M; van Abbema, A; Ward, SI; Waszkowycz, B; Zak, M Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors. J Med Chem 55:5901-21 (2012) [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:
Human
Description:
P23458
Residue:
1154
Sequence:
MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEELCIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTNDNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQDGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRINNVFKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLISSENEMNWFHSNDGGNVLYYEVMVTGNLGIQWRHKPNVVSVEKEKNKLKRKKLENKHKKDEEKNKIREEWNNFSYFPEITHIVIKESVVSINKQDNKKMELKLSSHEEALSFVSLVDGYFRLTADAHHYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVTCFEKSEQVQGAQKQFKNFQIEVQKGRYSLHGSDRSFPSLGDLMSHLKKQILRTDNISFMLKRCCQPKPREISNLLVATKKAQEWQPVYPMSQLSFDRILKKDLVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
  
Inhibitor
Name:
BDBM50391984
Synonyms:
CHEMBL2152420
Type:
Small organic molecule
Emp. Form.:
C17H20N6
Mol. Mass.:
308.3809
SMILES:
N#CCCN[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(-.8,-20.79,;-2.34,-20.78,;-3.88,-20.77,;-4.66,-22.09,;-6.2,-22.08,;-6.98,-23.41,;-6.22,-24.75,;-7,-26.08,;-8.54,-26.07,;-9.3,-24.73,;-8.52,-23.4,;-9.31,-27.4,;-10.83,-27.24,;-11.45,-28.64,;-10.31,-29.66,;-10.31,-31.21,;-8.98,-31.98,;-7.65,-31.2,;-6.18,-31.67,;-5.28,-30.43,;-6.18,-29.18,;-7.65,-29.66,;-8.99,-28.9,)|
Structure:
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