Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46685 | Target Info | |||
| Target Name | CDC-like kinase 1 (CLK1) | ||||
| Synonyms | Dual specificity protein kinase CLK1; CLK; CDClike kinase 1 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | CLK1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | KH-CB19 | Ligand Info | |||
| Canonical SMILES | CCOC(=O)C1=C(C2=C(N1C)C(=C(C=C2)Cl)Cl)C(=CN)C#N | ||||
| InChI | 1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6- | ||||
| InChIKey | CXJCGSPAPOTTSF-VURMDHGXSA-N | ||||
| PubChem Compound ID | 44237094 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2VAG Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
MHLICQSGDV
156 LSARYEIVDT166 LGEGAFGKVV176 ECIDHKAGGR186 HVAVKIVKNV196 DRYCEAARSE 206 IQVLEHLNTT216 DPNSTFRCVQ226 MLEWFEHHGH236 ICIVFELLGL246 STYDFIKENG 256 FLPFRLDHIR266 KMAYQICKSV276 NFLHSNKLTH286 TDLKPENILF296 VQSDYTEAYN 306 KRDERTLINP319 DIKVVDFGSA329 TYDDEHHSTL339 VRHYRAPEVI351 LALGWSQPCD 361 VWSIGCILIE371 YYLGFTVFPT381 HDSKEHLAMM391 ERILGPLPKH401 MIQKTRKRKY 411 FHHDRLDWDE421 HSSAGRYVSR431 ACKPLKEFML441 SQDVEHERLF451 DLIQKMLEYD 461 PAKRITLREA471 LKHPFFDLLK481
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LEU167
3.626
GLY168
3.302
GLU169
3.578
GLY170
3.871
PHE172
3.805
VAL175
3.682
ALA189
3.609
LYS191
2.739
GLU206
4.295
VAL225
3.911
|
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| PDB ID: 6TW2 Re-refined crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
MHLICQSGDV
156 LSARYEIVDT166 LGEGAFGKVV176 ECIDHKAGGR186 HVAVKIVKNV196 DRYCEAARSE 206 IQVLEHLNTT216 DPNSTFRCVQ226 MLEWFEHHGH236 ICIVFELLGL246 STYDFIKENG 256 FLPFRLDHIR266 KMAYQICKSV276 NFLHSNKLTH286 TDLKPENILF296 VQSDYTEAYN 306 RDERTLINPD320 IKVVDFGSAT330 YDDEHHSTLV340 STRHYRAPEV350 ILALGWSQPC 360 DVWSIGCILI370 EYYLGFTVFP380 THDSKEHLAM390 MERILGPLPK400 HMIQKTRKRK 410 YFHHDRLDWD420 EHSSAGRYVS430 RACKPLKEFM440 LSQDVEHERL450 FDLIQKMLEY 460 DPAKRITLRE470 ALKHPFFDLL480 KKSI
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LEU167
3.614
GLY168
3.309
GLU169
3.401
GLY170
3.837
PHE172
3.731
VAL175
3.653
ALA189
3.533
LYS191
2.724
GLU206
4.145
VAL225
3.950
|
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| PDB ID: 6QTY Non-phosphorylated human CLK1 in complex with an indole inhibitor to 1.65 Ang | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
LICQSGDVLS
158 ARYEIVDTLG168 EGAFGKVVEC178 IDHKAGGRHV188 AVKIVKNVDR198 YCEAARSEIQ 208 VLEHLNTTDP218 NSTFRCVQML228 EWFEHHGHIC238 IVFELLGLST248 YDFIKENGFL 258 PFRLDHIRKM268 AYQICKSVNF278 LHSNKLTHTD288 LKPENILFVQ298 SDYTEAYNPK 308 IKRDERTLIN318 PDIKVVDFGS328 ATYDDEHHST338 LVSTRHYRAP348 EVILALGWSQ 358 PCDVWSIGCI368 LIEYYLGFTV378 FPTHDSKEHL388 AMMERILGPL398 PKHMIQKTRK 408 RKYFHHDRLD418 WDEHSSAGRY428 VSRRCKPLKE438 FMLSQDVEHE448 RLFDLIQKML 458 EYDPAKRITL468 REALKHPFFD478 LLK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Specific CLK inhibitors from a novel chemotype for regulation of alternative splicing. Chem Biol. 2011 Jan 28;18(1):67-76. | ||||
| REF 2 | A Conserved Kinase-Based Body-Temperature Sensor Globally Controls Alternative Splicing and Gene Expression. Mol Cell. 2020 Apr 2;78(1):57-69.e4. | ||||
| REF 3 | Expression, purification and crystallization of CLK1 kinase - A potential target for antiviral therapy. Protein Expr Purif. 2020 Dec;176:105742. | ||||
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