Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1
Ligand
BDBM246881
Substrate
n/a
Meas. Tech.
Alphascreen Assay
IC50
<10±n/a nM
Citation
 Qiao, L; Weng, L; Meloni, D; Jia, Z; Wang, J; Zhou, J Salts and processes of preparing a PI3K inhibitor US Patent  US11084822 Publication Date 8/10/2021 
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:
BDBM246881
Synonyms:
US10053465, 20 | US10065963, Compound 20 | US10125150, Example 20 | US10336759, # 20 | US10479803, Example 20 | US10519163, Example 20 | US10675284, Example 20 | US11084822, Example 20 | US11130767, # 20 | US11136326, Example 20 | US11304949, Compound 20 | US11324749, Comp. No. 20 | US11406640, Comp. No. 20 | US11596632, Comp. No. 20 | US20240058343, Compound 20 | {1-(cis-4-{[4-(1- hydroxy-1- methylethyl)-6- (trifluoromethyl) pyridin-2- yl]oxy}cyclohexyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]azetidin-3- yl}aceionitrile
Type:
Small organic molecule
Emp. Form.:
C29H31F3N8O2
Mol. Mass.:
580.604
SMILES:
CC(C)(O)c1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(8.48,4.71,;7.15,5.48,;7.15,7.02,;8.48,6.25,;5.82,4.71,;4.48,5.48,;3.15,4.71,;1.82,5.48,;.48,4.71,;.48,3.17,;-.85,2.4,;-2.18,3.17,;-2.18,4.71,;-.85,5.48,;-3.52,2.4,;-3.92,.91,;-5.4,1.31,;-6.94,1.31,;-7.71,2.64,;-8.48,3.97,;-5.01,2.79,;-6.17,-.03,;-5.7,-1.49,;-6.94,-2.4,;-8.19,-1.49,;-7.71,-.03,;-6.94,-3.94,;-8.28,-4.71,;-8.28,-6.25,;-6.94,-7.02,;-5.61,-6.25,;-4.15,-6.72,;-3.24,-5.48,;-4.15,-4.23,;-5.61,-4.71,;3.15,3.17,;4.48,2.4,;5.82,3.17,;4.48,.86,;5.82,.09,;3.15,.09,;4.48,-.68,)|
Structure:
Search PDB for entries with ligand similarity: