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Target
Tyrosine-protein kinase JAK3
Ligand
BDBM50274584
Substrate
n/a
Meas. Tech.
ChEMBL_1714128 (CHEMBL4124177)
IC50
4.0±n/a nM
Citation
 Forster, M; Chaikuad, A; Dimitrov, T; Döring, E; Holstein, J; Berger, BT; Gehringer, M; Ghoreschi, K; Müller, S; Knapp, S; Laufer, SA Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold. J Med Chem 61:5350-5366 (2018) [PubMed]  Article
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:
BDBM50274584
Synonyms:
CHEMBL4125719
Type:
Small organic molecule
Emp. Form.:
C22H18N6O
Mol. Mass.:
382.4179
SMILES:
N#CC(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N |(77.79,-13.81,;79.12,-14.58,;80.45,-15.35,;81.78,-14.58,;83.12,-15.36,;84.45,-14.58,;85.59,-15.61,;84.97,-17.01,;83.44,-16.86,;85.74,-18.34,;85.13,-19.74,;86.27,-20.77,;86.27,-22.32,;87.61,-23.09,;88.94,-22.31,;90.42,-22.78,;91.32,-21.52,;90.4,-20.28,;88.93,-20.76,;87.6,-20,;87.27,-18.5,;88.31,-17.36,;89.82,-17.68,;90.85,-16.53,;90.38,-15.06,;88.86,-14.74,;87.83,-15.89,;80.45,-16.88,;80.45,-18.42,)|
Structure:
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