| Reaction Details |
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 | Report a problem with these data |
| Target | LIM domain kinase 1/2 |
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| Ligand | BDBM50112355 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2199838 (CHEMBL5112354) |
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| IC50 | 32±n/a nM |
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| Citation |  Collins, R; Lee, H; Jones, DH; Elkins, JM; Gillespie, JA; Thomas, C; Baldwin, AG; Jones, K; Waters, L; Paine, M; Atack, JR; Ward, SE; Grubisha, O; Foley, DW Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity. J Med Chem65:13705-13713 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| LIM domain kinase 1/2 |
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| Name: | LIM domain kinase 1/2 |
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| Synonyms: | n/a |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 2199838 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | LIM domain kinase 2 |
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| Synonyms: | LIMK2 | LIMK2_HUMAN |
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| Type: | PROTEIN |
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| Mol. Mass.: | 72238.81 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1514398 |
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| Residue: | 638 |
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| Sequence: | MSALAGEDVWRCPGCGDHIAPSQIWYRTVNETWHGSCFRCSECQDSLTNWYYEKDGKLYC
PKDYWGKFGEFCHGCSLLMTGPFMVAGEFKYHPECFACMSCKVIIEDGDAYALVQHATLY
CGKCHNEVVLAPMFERLSTESVQEQLPYSVTLISMPATTEGRRGFSVSVESACSNYATTV
QVKEVNRMHISPNNRNAIHPGDRILEINGTPVRTLRVEEVEDAISQTSQTLQLLIEHDPV
SQRLDQLRLEARLAPHMQNAGHPHALSTLDTKENLEGTLRRRSLRRSNSISKSPGPSSPK
EPLLFSRDISRSESLRCSSSYSQQIFRPCDLIHGEVLGKGFFGQAIKVTHKATGKVMVMK
ELIRCDEETQKTFLTEVKVMRSLDHPNVLKFIGVLYKDKKLNLLTEYIEGGTLKDFLRSM
DPFPWQQKVRFAKGIASGMAYLHSMCIIHRDLNSHNCLIKLDKTVVVADFGLSRLIVEER
KRAPMEKATTKKRTLRKNDRKKRYTVVGNPYWMAPEMLNGKSYDETVDIFSFGIVLCEII
GQVYADPDCLPRTLDFGLNVKLFWEKFVPTDCPPAFFPLAAICCRLEPESRPAFSKLEDS
FEALSLYLGELGIPLPAELEELDHTVSMQYGLTRDSPP
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| Component 2 |
| Name: | LIM domain kinase 1 |
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| Synonyms: | LIMK | LIMK-1 | LIMK1 | LIMK1_HUMAN |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 72591.81 |
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| Organism: | Homo sapiens (Human) |
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| Description: | gi_4505001 |
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| Residue: | 647 |
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| Sequence: | MRLTLLCCTWREERMGEEGSELPVCASCGQRIYDGQYLQALNADWHADCFRCCDCSASLS
HQYYEKDGQLFCKKDYWARYGESCHGCSEQITKGLVMVAGELKYHPECFICLTCGTFIGD
GDTYTLVEHSKLYCGHCYYQTVVTPVIEQILPDSPGSHLPHTVTLVSIPASSHGKRGLSV
SIDPPHGPPGCGTEHSHTVRVQGVDPGCMSPDVKNSIHVGDRILEINGTPIRNVPLDEID
LLIQETSRLLQLTLEHDPHDTLGHGLGPETSPLSSPAYTPSGEAGSSARQKPVLRSCSID
RSPGAGSLGSPASQRKDLGRSESLRVVCRPHRIFRPSDLIHGEVLGKGCFGQAIKVTHRE
TGEVMVMKELIRFDEETQRTFLKEVKVMRCLEHPNVLKFIGVLYKDKRLNFITEYIKGGT
LRGIIKSMDSQYPWSQRVSFAKDIASGMAYLHSMNIIHRDLNSHNCLVRENKNVVVADFG
LARLMVDEKTQPEGLRSLKKPDRKKRYTVVGNPYWMAPEMINGRSYDEKVDVFSFGIVLC
EIIGRVNADPDYLPRTMDFGLNVRGFLDRYCPPNCPPSFFPITVRCCDLDPEKRPSFVKL
EHWLETLRMHLAGHLPLGPQLEQLDRGFWETYRRGESGLPAHPEVPD
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| BDBM50112355 |
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| n/a |
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| Name | BDBM50112355 |
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| Synonyms: | CHEMBL3609326 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H23Cl2FN6O |
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| Mol. Mass. | 513.394 |
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| SMILES | CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O |
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| Structure | 
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