Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK2
Ligand
BDBM344023
Substrate
n/a
Meas. Tech.
In Vitro JAK Kinase Assay
IC50
<2000±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:
BDBM344023
Synonyms:
US10370387, Example 7 | US11161855, Example 7 | US9777017, Example 7 | US9908895, Example 7
Type:
Small organic molecule
Emp. Form.:
C17H18N4OS
Mol. Mass.:
326.416
SMILES:
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC1)C#N |r,wU:1.1,15.17,18.24,(-3.93,.15,;-2.39,.15,;-1.62,1.48,;-1.62,-1.19,;-2.25,-2.59,;-1.1,-3.62,;-1.1,-5.16,;.23,-5.93,;1.56,-5.16,;3.03,-5.64,;3.93,-4.39,;3.03,-3.15,;1.56,-3.62,;.23,-2.85,;-.09,-1.35,;.68,-.01,;2.17,.38,;2.56,1.87,;1.48,2.96,;-.01,2.56,;-.41,1.07,;1.87,4.45,;2.27,5.93,)|
Structure:
Search PDB for entries with ligand similarity: