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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM254987
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
1.8±n/a nM
Citation
 Takahashi, K; Watanabe, T; Hayashi, K; Kurihara, K; Nakamura, T; Yamamoto, A; Nishimura, T; Kamiyama, T; Hidaka, Y Tricyclic pyrrolopyridine compound, and JAK inhibitor US Patent  US9475813 Publication Date 10/25/2016 
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:
BDBM254987
Synonyms:
US9475813, 43
Type:
Small organic molecule
Emp. Form.:
C20H27N5O3S
Mol. Mass.:
417.525
SMILES:
CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)N1CN(C2CC2)C(=O)c2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(7.44,2.41,;6.1,3.18,;6.87,4.52,;5.33,4.52,;4.77,2.41,;3.44,3.18,;2.1,2.41,;.77,3.18,;-.56,2.41,;-.56,.87,;.77,.1,;2.1,.87,;-1.9,.1,;-3.23,.87,;-4.56,.1,;-5.9,.87,;-6.67,2.21,;-7.44,.87,;-4.56,-1.44,;-5.9,-2.21,;-3.23,-2.21,;-3.23,-3.75,;-1.9,-4.52,;-.56,-3.75,;.9,-4.22,;1.81,-2.98,;.9,-1.73,;-.56,-2.21,;-1.9,-1.44,)|
Structure:
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