Reaction Details |
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Target | PAS domain-containing serine/threonine-protein kinase |
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Ligand | BDBM50359359 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_793937 (CHEMBL1931529) |
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IC50 | >30000±n/a nM |
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Citation | Moffett, K; Konteatis, Z; Nguyen, D; Shetty, R; Ludington, J; Fujimoto, T; Lee, KJ; Chai, X; Namboodiri, H; Karpusas, M; Dorsey, B; Guarnieri, F; Bukhtiyarova, M; Springman, E; Michelotti, E Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg Med Chem Lett21:7155-65 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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PAS domain-containing serine/threonine-protein kinase |
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Name: | PAS domain-containing serine/threonine-protein kinase |
Synonyms: | KIAA0135 | PAS-kinase | PASK | PASKIN | PASK_HUMAN | hPASK |
Type: | PROTEIN |
Mol. Mass.: | 142867.26 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_944230 |
Residue: | 1323 |
Sequence: | MEDGGLTAFEEDQRCLSQSLPLPVSAEGPAAQTTAEPSRSFSSAHRHLSRRNGLSRLCQS
RTALSEDRWSSYCLSSLAAQNICTSKLHCPAAPEHTDPSEPRGSVSCCSLLRGLSSGWSS
PLLPAPVCNPNKAIFTVDAKTTEILVANDKACGLLGYSSQDLIGQKLTQFFLRSDSDVVE
ALSEEHMEADGHAAVVFGTVVDIISRSGEKIPVSVWMKRMRQERRLCCVVVLEPVERVST
WVAFQSDGTVTSCDSLFAHLHGYVSGEDVAGQHITDLIPSVQLPPSGQHIPKNLKIQRSV
GRARDGTTFPLSLKLKSQPSSEEATTGEAAPVSGYRASVWVFCTISGLITLLPDGTIHGI
NHSFALTLFGYGKTELLGKNITFLIPGFYSYMDLAYNSSLQLPDLASCLDVGNESGCGER
TLDPWQGQDPAEGGQDPRINVVLAGGHVVPRDEIRKLMESQDIFTGTQTELIAGGQLLSC
LSPQPAPGVDNVPEGSLPVHGEQALPKDQQITALGREEPVAIESPGQDLLGESRSEPVDV
KPFASCEDSEAPVPAEDGGSDAGMCGLCQKAQLERMGVSGPSGSDLWAGAAVAKPQAKGQ
LAGGSLLMHCPCYGSEWGLWWRSQDLAPSPSGMAGLSFGTPTLDEPWLGVENDREELQTC
LIKEQLSQLSLAGALDVPHAELVPTECQAVTAPVSSCDLGGRDLCGGCTGSSSACYALAT
DLPGGLEAVEAQEVDVNSFSWNLKELFFSDQTDQTSSNCSCATSELRETPSSLAVGSDPD
VGSLQEQGSCVLDDRELLLLTGTCVDLGQGRRFRESCVGHDPTEPLEVCLVSSEHYAASD
RESPGHVPSTLDAGPEDTCPSAEEPRLNVQVTSTPVIVMRGAAGLQREIQEGAYSGSCYH
RDGLRLSIQFEVRRVELQGPTPLFCCWLVKDLLHSQRDSAARTRLFLASLPGSTHSTAAE
LTGPSLVEVLRARPWFEEPPKAVELEGLAACEGEYSQKYSTMSPLGSGAFGFVWTAVDKE
KNKEVVVKFIKKEKVLEDCWIEDPKLGKVTLEIAILSRVEHANIIKVLDIFENQGFFQLV
MEKHGSGLDLFAFIDRHPRLDEPLASYIFRQLVSAVGYLRLKDIIHRDIKDENIVIAEDF
TIKLIDFGSAAYLERGKLFYTFCGTIEYCAPEVLMGNPYRGPELEMWSLGVTLYTLVFEE
NPFCELEETVEAAIHPPYLVSKELMSLVSGLLQPVPERRTTLEKLVTDPWVTQPVNLADY
TWEEVFRVNKPESGVLSAASLEMGNRSLSDVAQAQELCGGPVPGEAPNGQGCLHPGDPRL
LTS
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BDBM50359359 |
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n/a |
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Name | BDBM50359359 |
Synonyms: | CHEMBL1929238 |
Type | Small organic molecule |
Emp. Form. | C25H33Cl2N5O3S |
Mol. Mass. | 554.532 |
SMILES | CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C |
Structure |
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