Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T36075 | Target Info | |||
| Target Name | Glucagon-like peptide 1 receptor (GLP1R) | ||||
| Synonyms | GLP-1R; GLP-1-R; GLP-1 receptor | ||||
| Target Type | Successful Target | ||||
| Gene Name | GLP1R | ||||
| Biochemical Class | GPCR secretin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 3-(tert-butylamino)-6,7-dichloro-1H-quinoxaline-2-thione | Ligand Info | |||
| Canonical SMILES | CC(C)(C)NC1=NC2=CC(=C(C=C2NC1=S)Cl)Cl | ||||
| InChI | 1S/C12H13Cl2N3S/c1-12(2,3)17-10-11(18)16-9-5-7(14)6(13)4-8(9)15-10/h4-5H,1-3H3,(H,15,17)(H,16,18) | ||||
| InChIKey | ZTZCVAROAIIBJM-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 20821231 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7DUQ Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex | ||||||
| Method | Electron microscopy | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
TVSLWETVQK
38 WREYRRQCQR48 SLTEDPPPAT58 DLFCNRTFDE68 YACWPDGEPG78 SFVNVSCPWY 88 LPWASSVPQG98 HVYRFCTAEG108 LWLQKDNSSL118 PWRDLSECEE128 SSPEEQLLFL 144 YIIYTVGYAL154 SFSALVIASA164 ILLGFRHLHC174 TRNYIHLNLF184 ASFILRALSV 194 FIKDAALKWM204 YSTAAQQHQW214 DGLLSYQDSL224 SCRLVFLLMQ234 YCVAANYYWL 244 LVEGVYLYTL254 LAFSVLSEQW264 IFRLYVSIGW274 GVPLLFVVPW284 GIVKYLYEDE 294 GCWTRNSNMN304 YWLIIRLPIL314 FAIGVNFLIF324 VRVICIVVSK334 LKANDIKCRL 349 AKSTLTLIPL359 LGTHEVIFAF369 VMDEHARGTL379 RFIKLFTELS389 FTSFQGLMVA 399 ILYCFVNNEV409 QLEFRKSWER419 WRLE
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| PDB ID: 7EVM Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex | ||||||
| Method | Electron microscopy | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
SPEEQLLFLY
145 IIYTVGYALS155 FSALVIASAI165 LLGFRHLHCT175 RNYIHLNLFA185 SFILRALSVF 195 IKDAALKWMY205 STAAQQHQWD215 GLLSYQDSLS225 CRLVFLLMQY235 CVAANYYWLL 245 VEGVYLYTLL255 AFSVLSEQWI265 FRLYVSIGWG275 VPLLFVVPWG285 IVKYLYEDEG 295 CWTRNSNMNY305 WLIIRLPILF315 AIGVNFLIFV325 RVICIVVSKL335 KANLTDIKCR 348 LAKSTLTLIP358 LLGTHEVIFA368 FVARGTLRFI382 KLFTELSFTS392 FQGLMVAILY 402 CFVNNEVQLE412 FRKSWERWRL422 EH
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| PDB ID: 7E14 Compound2_GLP-1R_OWL833_Gs complex structure | ||||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
TVSLWETVQK
38 WREYRRQCQR48 SLTEDPPPAT58 DLFCNRTFDE68 YACWPDGEPG78 SFVNVSCPWY 88 LPWASSVPQG98 HVYRFCTAEG108 LWLQKDNSSL118 PWRDLSECEE128 SSPEEQLLFL 144 YIIYTVGYAL154 SFSALVIASA164 ILLGFRHLHC174 TRNYIHLNLF184 ASFILRALSV 194 FIKDAALKWM204 YSTAAQQHQW214 DGLLSYQDSL224 SCRLVFLLMQ234 YCVAANYYWL 244 LVEGVYLYTL254 LAFSVLSEQW264 IFRLYVSIGW274 GVPLLFVVPW284 GIVKYLYEDE 294 GCWTRNSNMN304 YWLIIRLPIL314 FAIGVNFLIF324 VRVICIVVSK334 LKADIKCRLA 350 KSTLTLIPLL360 GTHEVIFAGT378 LRFIKLFTEL388 SFTSFQGLMV398 AILYCFVNNE 408 VQLEFRKSWE418 RWRLE
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| PDB ID: 7DUR Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex | ||||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
TVSLWETVQK
38 WREYRRQCQR48 SLTEDPPPFC62 NRTFDEYACW72 PDGEPGSFVN82 VSCPWYLPWA 92 SSVPQGHVYR102 FCTAEGLWLQ112 KDNSSLPWRD122 LSECEESPEE139 QLLFLYIIYT 149 VGYALSFSAL159 VIASAILLGF169 RHLHCTRNYI179 HLNLFASFIL189 RALSVFIKDA 199 ALKWMYSTAA209 QQHQWDGLLS219 YQDSLSCRLV229 FLLMQYCVAA239 NYYWLLVEGV 249 YLYTLLAFSV259 LSEQWIFRLY269 VSIGWGVPLL279 FVVPWGIVKY289 LYEDEGCWTR 299 NSNMNYWLII309 RLPILFAIGV319 NFLIFVRVIC329 IVVSKLKANL339 TDIKCRLAKS 352 TLTLIPLLGT362 HEVIFARFIK383 LFTELSFTSF393 QGLMVAILYC403 FVNNEVQLEF 413 RKSWERWRLE423 H
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun. 2021 Jun 18;12(1):3763. | ||||
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