Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T21307 | Target Info | |||
| Target Name | MAPK-activated protein kinase 2 (MAPKAPK2) | ||||
| Synonyms | MK2; MK-2; MAPKactivated protein kinase 2; MAPKAPK-2; MAPKAP-K2; MAPKAP kinase 2; MAP kinaseactivated protein kinase 2; MAP kinase-activated protein kinase 2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MAPKAPK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | Ligand Info | |||
| Canonical SMILES | CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)C | ||||
| InChI | 1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27) | ||||
| InChIKey | MOBKKWWSLMVASV-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 2812918 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6TCA Phosphorylated p38 and MAPKAPK2 complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 3.70 Å | Mutation | No | [1] |
| PDB Sequence |
GLQIKKNAII
60 DDYKVTSQVL70 GLGINGKVLQ80 IFNKRTQEKF90 ALKMLQDCPK100 ARREVELHWR 110 ASQCPHIVRI120 VDVYENLYAG130 RKCLLIVMEC140 LDGGELFSRI150 QDRGDQAFTE 160 REASEIMKSI170 GEAIQYLHSI180 NIAHRDVKPE190 NLLYTSKRPN200 AILKLTDFGF 210 AKETTSHNSL220 TTPCYTPYYV230 APEVLGPEKY240 DKSCDMWSLG250 VIMYILLCGY 260 PPFYSNHGLA270 IKTRIRMGQY284 EFPNPEWSEV294 SEEVKMLIRN304 LLKTEPTQRM 314 TITEFMNHPW324 IMQSTKVPQT334 PLHTSRVLKE344 DKERWEDVKE354 EMTSALATMR 364 VDYEQIKIKK374 IEDASNPLLL384 KRRKKARALE394 AAALA
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| PDB ID: 4TYH Ternary complex of P38 and MK2 with a P38 inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [2] |
| PDB Sequence |
GLQIKKNAII
60 DDYKVTSQVL70 GLGINGKVLQ80 IFNKRTQEKF90 ALKMLQDCPK100 ARREVELHWR 110 ASQCPHIVRI120 VDVYENLYAG130 RKCLLIVMEC140 LDGGELFSRI150 QDRGDQAFTE 160 REASEIMKSI170 GEAIQYLHSI180 NIAHRDVKPE190 NLLYTSKRPN200 AILKLTDFGF 210 AKETTSHNSL220 TTPCYTPYYV230 APEVLGPEKY240 DKSCDMWSLG250 VIMYILLCGY 260 PPFYSNHGRM281 GQYEFPNPEW291 SEVSEEVKML301 IRNLLKTEPT311 QRMTITEFMN 321 HPWIMQSTKV331 PQTPLHTSRV341 LKEDKERWED351 VKEEMTSALA361 TMRVDYEQIK 371 IKKIEDASNP381 LLLKRRKKAR391 ALEAAALAH
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases. Structure. 2020 Oct 6;28(10):1101-1113.e5. | ||||
| REF 2 | Discovery of substrate selective, ATP-competitive P38 alpha MAP kinase inhibitors | ||||
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