Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK3
Ligand
BDBM113091
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
7.4±n/a
IC50
342±n/a nM
Comments
extracted
Citation
 Promo, MA; Xie, J; Acker, BA; Hartmann, SJ; Wolfson, SG; Huang, H; Jacobsen, EJ Pyrrolo[2,3-D]pyrimidine compounds US Patent  US8633206 Publication Date 1/21/2014 
Target
Name:
Tyrosine-protein kinase JAK3
Synonyms:
JAK-3 | JAK3 | JAK3_HUMAN | Janus kinase 3 | Janus kinase 3 (JAK3) | Janus kinase 3 JAK3 | L-JAK | Leukocyte janus kinase
Type:
Protein
Mol. Mass.:
125111.08
Organism:
Homo sapiens (Human)
Description:
P52333
Residue:
1124
Sequence:
MAPPSEETPLIPQRSCSLLSTEAGALHVLLPARGPGPPQRLSFSFGDHLAEDLCVQAAKASGILPVYHSLFALATEDLSCWFPPSHIFSVEDASTQVLLYRIRFYFPNWFGLEKCHRFGLRKDLASAILDLPVLEHLFAQHRSDLVSGRLPVGLSLKEQGECLSLAVLDLARMAREQAQRPGELLKTVSYKACLPPSLRDLIQGLSFVTRRRIRRTVRRALRRVAACQADRHSLMAKYIMDLERLDPAGAAETFHVGLPGALGGHDGLGLLRVAGDGGIAWTQGEQEVLQPFCDFPEIVDISIKQAPRVGPAGEHRLVTVTRTDNQILEAEFPGLPEALSFVALVDGYFRLTTDSQHFFCKEVAPPRLLEEVAEQCHGPITLDFAINKLKTGGSRPGSYVLRRSPQDFDSFLLTVCVQNPLGPDYKGCLIRRSPTGTFLLVGLSRPHSSLRELLATCWDGGLHVDGVAVTLTSCCIPRPKEKSNLIVVQRGHSPPTSSLVQPQSQYQLSQMTFHKIPADSLEWHENLGHGSFTKIYRGCRHEVVDGEARKTEVLLKVMDAKHKNCMESFLEAASLMSQVSYRHLVLLHGVCMAGDSTMVQEFVHLGAIDMYLRKRGHLVPASWKLQVVKQLAYALNYLEDKGLPHGNVSARKVLLAREGADGSPPFIKLSDPGVSPAVLSLEMLTDRIPWVAPECLREAQTLSLEADKWGFGATVWEVFSGVTMPISALDPAKKLQFYEDRQQLPAPKWTELALLIQQCMAYEPVQRPSFRAVIRDLNSLISSDYELLSDPTPGALAPRDGLWNGAQLYACQDPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGCERDVPALCRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFTAHPEGKHHSLSFS
  
Inhibitor
Name:
BDBM113091
Synonyms:
US8633206, 9
Type:
Small organic molecule
Emp. Form.:
C19H29N5O3S
Mol. Mass.:
407.53
SMILES:
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(O)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(-6.31,.03,;-4.98,-.74,;-3.64,.03,;-2.31,-.74,;-.97,.03,;-.97,1.57,;.36,2.34,;.36,3.88,;-1.13,4.27,;.76,5.36,;1.85,3.48,;2.25,1.99,;3.73,1.59,;4.82,2.68,;6.31,2.28,;4.42,4.17,;2.94,4.57,;-2.31,2.34,;-3.64,1.57,;-4.98,-2.28,;-6.31,-3.05,;-6.31,-4.59,;-4.98,-5.36,;-3.64,-4.59,;-2.18,-5.07,;-1.27,-3.82,;-2.18,-2.58,;-3.64,-3.05,)|
Structure:
Search PDB for entries with ligand similarity: