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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM255020
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
5.2±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:
BDBM255020
Synonyms:
US9475813, 25
Type:
Small organic molecule
Emp. Form.:
C22H28F3N5O
Mol. Mass.:
435.4858
SMILES:
FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC2CC2)C(=O)c2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(-.87,9.06,;.67,9.01,;.71,10.55,;.62,7.47,;2.21,8.96,;2.93,7.6,;4.47,7.56,;5.2,6.2,;4.39,4.89,;5.12,3.53,;6.66,3.48,;7.47,4.79,;6.74,6.15,;7.38,2.13,;8.92,2.08,;9.65,.72,;11.19,.67,;11.92,-.68,;13.23,-1.49,;11.87,-2.22,;8.84,-.59,;9.57,-1.94,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;6.57,.82,)|
Structure:
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