Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T10822 | Target Info | |||
| Target Name | Cyclin-dependent kinase 8 (CDK8) | ||||
| Synonyms | Protein kinase K35; Mediator of RNA polymerase II transcription subunit CDK8; Mediator complex subunit CDK8; Cell division protein kinase 8 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CDK8 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide | Ligand Info | |||
| Canonical SMILES | CC(C1=C(C=NC=C1C2=CC3=C(N=C2)N(CCC3)C(=O)N)Cl)O | ||||
| InChI | 1S/C16H17ClN4O2/c1-9(22)14-12(7-19-8-13(14)17)11-5-10-3-2-4-21(16(18)23)15(10)20-6-11/h5-9,22H,2-4H2,1H3,(H2,18,23)/t9-/m0/s1 | ||||
| InChIKey | QDAISIXQQMBVSS-VIFPVBQESA-N | ||||
| PubChem Compound ID | 146018261 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6R3S CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [1] |
| PDB Sequence |
DDKMDYDFKV
7 KLSSERERVE17 DLFEYEGCKV27 GRGHVYKAKR40 KDGKDDKDYA50 LKQIEGTGIS 60 MSACREIALL70 RELKHPNVIS80 LQKVFLSHAD90 RKVWLLFDYA100 EHDLWHIIKF 110 HRASKANKQL123 PRGMVKSLLY133 QILDGIHYLH143 ANWVLHRDLK153 PANILVMGEG 163 PERGRVKIAD173 MGFARLFNSP183 LKPTFWYRAP202 ELLLGARHYT212 KAIDIWAIGC 222 IFAELLTSEP232 IFHCRQTSNP246 YHHDQLDRIF256 NVMGFPADKD266 WEDIKKMPEH 276 STLMKDFRRN286 TYTNCSLIKY296 MEKHKVKPDS306 KAFHLLQKLL316 TMDPIKRITS 326 EQAMQDPYFL336 EDPLPTSDVF346 AGCQIPYPKR356 EFLTEE
|
|||||
|
|
||||||
| PDB ID: 6Y0A CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH BI00690300 | ||||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [2] |
| PDB Sequence |
DDKMDYDFKV
7 KLSSERERVE17 DLFEYEGCKV27 GRGHVYKAKR40 KDGKDDKDYA50 LKQIEGTGIS 60 MSACREIALL70 RELKHPNVIS80 LQKVFLSHAD90 RKVWLLFDYA100 EHDLWHIIKF 110 HRASKANKQL123 PRGMVKSLLY133 QILDGIHYLH143 ANWVLHRDLK153 PANILVMGEG 163 PERGRVKIAD173 MGFARLFNSP183 LKPTFWYRAP202 ELLLGARHYT212 KAIDIWAIGC 222 IFAELLTSEP232 IFHCRQTSNP246 YHHDQLDRIF256 NVMGFPADKD266 WEDIKKMPEH 276 STLMKDFRRN286 TYTNCSLIKY296 MEKHKVKPDS306 KAFHLLQKLL316 TMDPIKRITS 326 EQAMQDPYFL336 EDPLPTSDVF346 AGCQIPYPKR356 EFLTEE
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol Cancer Ther. 2020 Apr;19(4):1018-1030. | ||||
| REF 2 | Human Cyclin-Dependent Kinase8/Cyclinc In Complex With Ligand 30180596 | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.