Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T65864 | Target Info | |||
| Target Name | Stress-activated protein kinase 2a (p38 alpha) | ||||
| Synonyms | SAPK2A; P38 mitogen activatedprotein kinase; P38 Mitogen-activatedprotein kinase alpha; Mitogen-activated protein kinase p38 alpha; Mitogen-activated protein kinase 14; MXI2; MAX-interacting protein 2; MAPK 14; MAP kinase p38alpha; MAP kinase p38 alpha; MAP kinase MXI2; MAP kinase 14; Cytokine suppressive anti-inflammatory drug-binding protein; Cytokine suppressive anti-inflammatory drug binding protein; CSPB1; CSBP2; CSBP1; CSBP; CSAID-binding protein; CSAID binding protein; CRK1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MAPK14 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Thiocysteine | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)SS | ||||
| InChI | 1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | ||||
| InChIKey | XBKONSCREBSMCS-REOHCLBHSA-N | ||||
| PubChem Compound ID | 165331 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2BAL p38alpha MAP kinase bound to pyrazoloamine | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKCQKLTD124 DHVQFLIYQI134 LRGLKYIHSA144 DIIHRDLKPS154 NLAVNEDELK 165 ILDFGLAATR186 WYRAPEIMLN196 WMHYNQTVDI206 WSVGCIMAEL216 LTGRTLFPGT 226 DHIDQLKLIL236 RLVGTPGAEL246 LKKISSESAR256 NYIQSLTQMP266 KMNFANVFIG 276 ANPLAVDLLE286 KMLVLDSDKR296 ITAAQALAHA306 YFAQYHDPDD316 EPVADPYDQS 326 FESRDLLIDE336 WKSLTYDEVI346 SFVPPPL
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| PDB ID: 4AA5 P38ALPHA MAP KINASE BOUND TO CMPD 33 | ||||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [2] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDELKILDF 169 GLARHTMTGY182 VATRWYRAPE192 IMLNWMHYNQ202 TVDIWSVGCI212 MAELLTGRTL 222 FPGTDHIDQL232 KLILRLVGTP242 GAELLKKISS252 ESARNYIQSL262 TQMPKMNFAN 272 VFIGANPLAV282 DLLEKMLVLD292 SDKRITAAQA302 LAHAYFAQYH312 DPDDEPVADP 322 YDQSFESRDL332 LIDEWKSLTY342 DEVISFVPPP352
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| PDB ID: 2BAQ p38alpha bound to Ro3201195 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPIGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLL 122 TDDHVQFLIY132 QILRGLKYIH142 SADIIHRDLK152 PSNLAVNEDE163 LKILDFGLAY 182 VATRWYRAPE192 IMLNWMHYNQ202 TVDIWSVGCI212 MAELLTGRTL222 FPGTDHIDQL 232 KLILRLVGTP242 GAELLKKISS252 ESARNYIQSL262 TQMPKMNFAN272 VFIGANPLAV 282 DLLEKMLVLD292 SDKRITAAQA302 LAHAYFAQYH312 DPDDEPVADP322 YDQSFESRDL 332 LIDEWKSLTY342 DEVISFVPP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Prevention of MKK6-dependent activation by binding to p38alpha MAP kinase. Biochemistry. 2005 Dec 20;44(50):16475-90. | ||||
| REF 2 | The discovery of N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide (AZD6703), a clinical p38alpha MAP kinase inhibitor for the treatment of inflammatory diseases. Bioorg Med Chem Lett. 2012 Jun 15;22(12):3879-83. | ||||
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