JAK3 inhibitor VI   Click here for help

GtoPdb Ligand ID: 5995

Synonyms: HMS3229G13
Compound class: Synthetic organic
Comment: Parent compound has PubChem CID 9947841.
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CS(=O)(=O)O.O=C1Nc2c(C1=Cc1ccc[nH]1)cc(cc2)c1cccnc1
Isomeric SMILES CS(=O)(=O)O.O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(cc2)c1cccnc1
InChI InChI=1S/C18H13N3O.CH4O3S/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13;1-5(2,3)4/h1-11,20H,(H,21,22);1H3,(H,2,3,4)/b16-10-;
InChI Key ZUDPNBZMAJGYTE-HYMQDMCPSA-N
References
1. Anastassiadis T, Deacon SW, Devarajan K, Ma H, Peterson JR. (2011)
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.
Nat Biotechnol, 29 (11): 1039-45. [PMID:22037377]
2. Gao Y, Davies SP, Augustin M, Woodward A, Patel UA, Kovelman R, Harvey KJ. (2013)
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.
Biochem J, 451 (2): 313-28. [PMID:23398362]