Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK3
Ligand
BDBM113132
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
7.4±n/a
IC50
581±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:
BDBM113132
Synonyms:
US8633206, 50
Type:
Small organic molecule
Emp. Form.:
C23H33N7O5S2
Mol. Mass.:
551.682
SMILES:
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)c2nc(CS(C)(=O)=O)no2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(8.49,-1.33,;7.16,-2.1,;5.82,-1.33,;5.82,.21,;4.49,.98,;3.16,.21,;1.82,.98,;.49,.21,;.49,-1.33,;1.82,-.56,;-.85,.98,;-.85,2.52,;-2.18,3.29,;-3.51,2.52,;-3.51,.98,;-2.18,.21,;-4.85,3.29,;-6.31,2.81,;-7.22,4.06,;-8.76,4.06,;-9.53,5.39,;-8.76,6.72,;-10.86,6.16,;-10.86,4.62,;-6.31,5.3,;-4.85,4.83,;3.16,-1.33,;4.49,-2.1,;7.16,-3.64,;5.82,-4.41,;5.82,-5.95,;7.16,-6.72,;8.49,-5.95,;9.95,-6.43,;10.86,-5.18,;9.95,-3.94,;8.49,-4.41,)|
Structure:
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