Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK2
Ligand
BDBM344030
Substrate
n/a
Meas. Tech.
In Vitro JAK Kinase Assay
IC50
>20000±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:
BDBM344030
Synonyms:
US10370387, Example 14 | US11161855, Example 14 | US9777017, Example 14 | US9908895, Example 14
Type:
Small organic molecule
Emp. Form.:
C18H24N4O3S2
Mol. Mass.:
408.538
SMILES:
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:9.12,wD:24.29,6.5,(6.13,4.22,;5.04,3.13,;3.55,3.53,;3.95,5.02,;3.16,2.04,;2.07,3.93,;.98,2.84,;-.51,3.24,;-1.6,2.15,;-1.2,.66,;.29,.26,;1.38,1.35,;-2.29,-.43,;-3.82,-.27,;-4.45,-1.68,;-3.3,-2.71,;-3.3,-4.25,;-1.97,-5.02,;-.64,-4.25,;.83,-4.72,;1.73,-3.48,;.83,-2.23,;-.64,-2.71,;-1.97,-1.94,;-4.59,1.07,;-3.82,2.4,;-6.13,1.07,)|
Structure:
Search PDB for entries with ligand similarity: