Target
Tyrosine-protein kinase JAK3
Ligand
BDBM50463842
Substrate
n/a
Meas. Tech.
ChEMBL_1779475 (CHEMBL4236467)
IC50
0.630000±n/a nM
Citation
 Hamaguchi, HAmano, YMoritomo, AShirakami, SNakajima, YNakai, KNomura, NIto, MHigashi, YInoue, T Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor. Bioorg Med Chem 26:4971-4983 (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:
BDBM50463842
Synonyms:
CHEMBL4246788
Type:
Small organic molecule
Emp. Form.:
C19H24N4O2
Mol. Mass.:
340.4195
SMILES:
COC12CC3CC(C1)C(Nc1c(cnc4[nH]ccc14)C(N)=O)C(C3)C2 |TLB:5:4:24:7.6.8,5:6:3.4.23:24,THB:8:6:3:23.22.24,8:22:3:7.5.6,9:8:3.4.23:24,(18.96,-21.75,;18.96,-23.29,;20.3,-24.06,;19.11,-25.34,;20.61,-24.93,;22.03,-25.48,;23.04,-24.2,;21.63,-24.54,;23.06,-22.66,;24.34,-21.81,;24.34,-20.27,;25.68,-19.49,;25.67,-17.94,;24.33,-17.18,;23,-17.96,;21.53,-17.49,;20.63,-18.74,;21.54,-19.98,;23,-19.5,;27.01,-20.26,;28.34,-19.49,;27.01,-21.8,;21.64,-22.09,;20.6,-23.33,;20.3,-22.56,)|
Structure:
Search PDB for entries with ligand similarity: