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Target
Tyrosine-protein kinase JAK3
Ligand
BDBM50274615
Substrate
n/a
Meas. Tech.
ChEMBL_1714128 (CHEMBL4124177)
IC50
30±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:
BDBM50274615
Synonyms:
CHEMBL4126944
Type:
Small organic molecule
Emp. Form.:
C24H20N6
Mol. Mass.:
392.4558
SMILES:
N#CC(=Cc1ccc(cc1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N |(48.18,-13.85,;48.96,-15.18,;49.73,-16.5,;51.27,-16.5,;52.04,-17.82,;53.58,-17.82,;54.35,-19.15,;53.58,-20.48,;52.05,-20.49,;51.28,-19.17,;54.35,-21.81,;53.73,-23.21,;54.88,-24.24,;54.87,-25.79,;56.21,-26.56,;57.55,-25.78,;59.02,-26.25,;59.93,-24.99,;59.01,-23.75,;57.54,-24.23,;56.21,-23.47,;55.88,-21.96,;56.92,-20.82,;58.43,-21.14,;59.46,-20,;58.98,-18.53,;57.47,-18.21,;56.44,-19.36,;48.98,-17.84,;48.22,-19.17,)|
Structure:
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