Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK2
Ligand
BDBM344099
Substrate
n/a
Meas. Tech.
In Vitro JAK Kinase Assay
IC50
<1000±n/a nM
Citation
 Li, Y; Zhu, W; Mei, S Tricyclic fused thiophene derivatives as JAK inhibitors US Patent  US9777017 Publication Date 10/3/2017 
Target
Name:
Tyrosine-protein kinase JAK2
Synonyms:
JAK-2 | JAK2 | JAK2_HUMAN | Janus kinase 2 | Janus kinase 2 (JAK2) | Janus kinase 2 (a protein tyrosine kinase)
Type:
Protein
Mol. Mass.:
130684.68
Organism:
Homo sapiens (Human)
Description:
O60674
Residue:
1132
Sequence:
MGMACLTMTEMEGTSTSSIYQNGDISGNANSMKQIDPVLQVYLYHSLGKSEADYLTFPSGEYVAEEICIAASKACGITPVYHNMFALMSETERIWYPPNHVFHIDESTRHNVLYRIRFYFPRWYCSGSNRAYRHGISRGAEAPLLDDFVMSYLFAQWRHDFVHGWIKVPVTHETQEECLGMAVLDMMRIAKENDQTPLAIYNSISYKTFLPKCIRAKIQDYHILTRKRIRYRFRRFIQQFSQCKATARNLKLKYLINLETLQSAFYTEKFEVKEPGSGPSGEEIFATIIITGNGGIQWSRGKHKESETLTEQDLQLYCDFPNIIDVSIKQANQEGSNESRVVTIHKQDGKNLEIELSSLREALSFVSLIDGYYRLTADAHHYLCKEVAPPAVLENIQSNCHGPISMDFAISKLKKAGNQTGLYVLRCSPKDFNKYFLTFAVERENVIEYKHCLITKNENEEYNLSGTKKNFSSLKDLLNCYQMETVRSDNIIFQFTKCCPPKPKDKSNLLVFRTNGVSDVPTSPTLQRPTHMNQMVFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKWAELANLINNCMDYEPDFRPSFRAIIRDLNSLFTPDYELLTENDMLPNMRIGALGFSGAFEDRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG
  
Inhibitor
Name:
BDBM344099
Synonyms:
US10370387, Example 83 | US11161855, Example 83 | US9777017, Example 83 | US9908895, Example 83
Type:
Small organic molecule
Emp. Form.:
C21H28N4O3S
Mol. Mass.:
416.537
SMILES:
CCCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:11.14,26.31,wD:8.7,(7.96,5.45,;6.87,4.36,;5.39,4.76,;4.3,3.67,;2.81,4.07,;2.41,5.56,;1.72,2.98,;.23,3.38,;-.85,2.29,;-2.34,2.69,;-3.43,1.6,;-3.03,.12,;-1.55,-.28,;-.46,.81,;-4.12,-.97,;-5.65,-.81,;-6.28,-2.22,;-5.14,-3.25,;-5.14,-4.79,;-3.8,-5.56,;-2.47,-4.79,;-1,-5.27,;-.1,-4.02,;-1,-2.77,;-2.47,-3.25,;-3.8,-2.48,;-6.42,.52,;-7.96,.52,;-5.65,1.85,)|
Structure:
Search PDB for entries with ligand similarity: