Target
Tyrosine-protein kinase JAK1
Ligand
BDBM198456
Substrate
n/a
Meas. Tech.
Enzyme Assay
Temperature
298.15±n/a K
IC50
1.10±n/a nM
Comments
extracted
Citation
 Hayashi, KWatanabe, TToyama, KKamon, JMinami, MUni, MNasu, M Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same US Patent  US9556187 Publication Date 1/31/2017 
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:
BDBM198456
Synonyms:
US9216999, 253 | US9556187, Example 253
Type:
Small organic molecule
Emp. Form.:
C18H22N6OS
Mol. Mass.:
370.472
SMILES:
O=C1SCCC1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,(5.7,2.3,;4.93,3.63,;5.41,5.1,;4.16,6,;2.91,5.1,;3.39,3.63,;2.3,2.54,;.81,2.94,;-.28,1.85,;-1.76,2.25,;-2.85,1.16,;-2.45,-.33,;-.97,-.72,;.12,.36,;-3.54,-1.41,;-5.07,-1.25,;-5.7,-2.66,;-4.56,-3.69,;-4.56,-5.23,;-3.22,-6,;-1.89,-5.23,;-.42,-5.71,;.48,-4.46,;-.42,-3.22,;-1.89,-3.69,;-3.22,-2.92,)|
Structure:
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