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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM50392020
Substrate
n/a
Meas. Tech.
ChEMBL_851246 (CHEMBL2155758)
Ki
6.1±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:
BDBM50392020
Synonyms:
CHEMBL2152413
Type:
Small organic molecule
Emp. Form.:
C19H25N5O2
Mol. Mass.:
n/a
SMILES:
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:11.14,8.7,(-.89,-10.06,;-1.65,-8.72,;-.88,-7.39,;-.12,-8.72,;-3.19,-8.71,;-3.96,-7.37,;-3.18,-6.04,;-5.49,-7.36,;-6.27,-8.69,;-7.82,-8.68,;-8.6,-10.01,;-7.83,-11.34,;-6.29,-11.35,;-5.51,-10.03,;-8.6,-12.67,;-10.13,-12.52,;-10.75,-13.92,;-9.61,-14.94,;-9.61,-16.48,;-8.27,-17.25,;-6.94,-16.47,;-5.48,-16.95,;-4.57,-15.7,;-5.48,-14.46,;-6.94,-14.93,;-8.28,-14.17,)|
Structure:
Search PDB for entries with ligand similarity: