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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM50391986
Substrate
n/a
Meas. Tech.
ChEMBL_851246 (CHEMBL2155758)
Ki
2.7±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:
BDBM50391986
Synonyms:
CHEMBL2152422
Type:
Small organic molecule
Emp. Form.:
C15H19N5O2S
Mol. Mass.:
333.409
SMILES:
CS(=O)(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(11.6,-22.58,;10.82,-23.9,;12.15,-24.67,;10.82,-25.43,;9.28,-23.89,;8.5,-25.22,;9.26,-26.56,;8.49,-27.88,;6.95,-27.87,;6.18,-26.54,;6.96,-25.21,;6.18,-29.2,;4.65,-29.04,;4.03,-30.44,;5.17,-31.47,;5.17,-33.01,;6.5,-33.78,;7.84,-33,;9.3,-33.48,;10.21,-32.23,;9.3,-30.98,;7.84,-31.46,;6.5,-30.7,)|
Structure:
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