Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1
Ligand
BDBM246879
Substrate
n/a
Meas. Tech.
Jak1 Inhibition assay
IC50
<10.00±n/a nM
Citation
 Li, Y; Burns, DM; Feng, H; Glenn, J; He, C; Mei, S; Pan, J; Wang, X; Ye, Y Pyrrolopyrimidine derivatives as TAM inhibitors US Patent  US11136326 Publication Date 10/5/2021 
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:
BDBM246879
Synonyms:
US10053465, 18 | US10065963, Compound 18 | US10125150, Example 18 | US10336759, # 18 | US10479803, Example 18 | US10519163, Example 18 | US10675284, Example 18 | US11084822, Example 18 | US11130767, # 18 | US11136326, Example 18 | US11304949, Compound 18 | US11324749, Comp. No. 18 | US11406640, Comp. No. 18 | US11596632, Comp. No. 18 | US20240058343, Compound 18 | US9732097, Example 18 | {1-(cis-4-{[6-(2- hydroxyethyl)-2- (trifluoromethyl) pyrimidin-4- yl]oxy}cyclohexyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]azetidin-3- yl}acetonitrile
Type:
Small organic molecule
Emp. Form.:
C27H28F3N9O2
Mol. Mass.:
567.5655
SMILES:
OCCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(n1)C(F)(F)F |r,wU:10.13,7.6,(9.15,6.25,;7.82,5.48,;6.48,6.25,;5.15,5.48,;3.82,6.25,;2.48,5.48,;1.15,6.25,;-.18,5.48,;-.18,3.94,;-1.52,3.17,;-2.85,3.94,;-2.85,5.48,;-1.52,6.25,;-4.19,3.17,;-4.58,1.68,;-6.07,2.08,;-7.61,2.08,;-8.38,3.41,;-9.15,4.74,;-5.67,3.56,;-6.84,.74,;-6.37,-.72,;-7.61,-1.63,;-8.86,-.72,;-8.38,.74,;-7.61,-3.17,;-8.95,-3.94,;-8.95,-5.48,;-7.61,-6.25,;-6.28,-5.48,;-4.81,-5.95,;-3.91,-4.71,;-4.81,-3.46,;-6.28,-3.94,;2.48,3.94,;3.82,3.17,;5.15,3.94,;3.82,1.63,;5.15,.86,;2.48,.86,;3.82,.09,)|
Structure:
Search PDB for entries with ligand similarity: