Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T53159 | Target Info | |||
| Target Name | ERK activator kinase 7 (MAP2K7) | ||||
| Synonyms | Stress-activated protein kinase kinase 4; SKK4; SAPKK4; SAPKK-4; SAPK kinase 4; PRKMK7; Mitogen-activated protein kinase kinase 7; MKK7; MEK7; MEK 7; MAPKK 7; MAPK/ERK kinase7; MAPK/ERK kinase 7; MAP kinase kinase 7; JNKK2; JNKK 2; JNK-activating kinase 2; JNK kinase 2; JNK activating kinase 2; Dual specificity mitogen-activated protein kinase kinase 7; C-Jun N-terminal kinase kinase 2 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | MAP2K7 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide | Ligand Info | |||
| Canonical SMILES | CC1=CC2=C(C=C1)C(=NN2)C3=CC(=CC=C3)NC(=O)C=C | ||||
| InChI | 1S/C17H15N3O/c1-3-16(21)18-13-6-4-5-12(10-13)17-14-8-7-11(2)9-15(14)19-20-17/h3-10H,1H2,2H3,(H,18,21)(H,19,20) | ||||
| InChIKey | YCMAZDUWLKXRRU-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 135398122 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5Z1D MAP2K7 C276S mutant-inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [1] |
| PDB Sequence |
TGYLTIGGQR
128 YQAEINDLEN138 LGEMGQVWKM153 RFRKTGHVIA163 VKQMRRSGNK173 EENKRILMDL 183 DVVLKSHDCP193 YIVQCFGTFI203 TNTDVFIAME213 LMGTCAEKLK223 KRMQGPIPER 233 ILGKMTVAIV243 KALYYLKEKH253 GVIHRDVKPS263 NILLDERGQI273 KLSDFGISGC 296 AAYMAPERID306 PPRADVWSLG325 ISLVELATGQ335 FPYKNCKTDF345 EVLTKVLQEE 355 PPLLPGHMGF365 SGDFQSFVKD375 CLTKDHRKRP385 KYNKLLEHSF395 IKRYETLEVD 405 VASWFKDVMA415 KTES
|
|||||
|
|
||||||
| PDB ID: 5Z1E MAP2K7 C218S mutant-inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
TGYLTIGGQR
128 YQAEINDLEN138 LGEMGQVWKM153 RFRKTGHVIA163 VKQMRRSGNK173 EENKRILMDL 183 DVVLKSHDCP193 YIVQCFGTFI203 TNTDVFIAME213 LMGTSAEKLK223 KRMQGPIPER 233 ILGKMTVAIV243 KALYYLKEKH253 GVIHRDVKPS263 NILLDERGQI273 KLCDFGISGG 295 CAAYMAPERI305 DPPDPTDIRA319 DVWSLGISLV329 ELATGQFPYK339 NCKTDFEVLT 349 KVLQEEPPLL359 PGHMGFSGDF369 QSFVKDCLTK379 DHRKRPKYNK389 LLEHSFIKRY 399 ETLEVDVASW409 FKDVMAKTES419 PTSGVLSQPH430 LPFFRH
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Covalent Docking Identifies a Potent and Selective MKK7 Inhibitor. Cell Chem Biol. 2019 Jan 17;26(1):98-108.e5. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.