Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
GLP1R_HUMAN
Ligand General Information  Top
Ligand Name 3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one Ligand Info
Canonical SMILES CC1CC1(C2=NOC(=O)N2)N3C4=C(C=C(C=C4)C5CCOC(C5)(C)C)C=C3C(=O)N6CCC7=NN(C(=C7C6C)N8C=CN(C8=O)C9=C(C1=C(C=C9)N(N=C1)C)F)C1=CC(=C(C(=C1)C)F)C
InChI 1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1
InChIKey USUWIEBBBWHKNI-KHIFEHGGSA-N
PubChem Compound ID 137319706
Drug Binding Sites of Target  Top
PDB ID: 6XOX      cryo-EM of human GLP-1R bound to non-peptide agonist LY3502970
Method Electron microscopy Resolution 3.10 Å Mutation Yes [1]
PDB Sequence
ATVSLWETVQ
37
KWREYRRQCQ
47
RSLTEDPPPF
61
CNRTFDEYAC
71
WPDGEPGSFV
81

NVSCPWYLPW
91
ASSVPQGHVY
101
RFCTAEGLWL
111
QKDNSSLPWR
121
DLSECEESSP
137

EEQLLFLYII
147
YTVGYALSFS
157
ALVIASAILL
167
GFRHLHCTRN
177
YIHLNLFASF
187

ILRALSVFIK
197
DAALKWMYST
207
AAQQHQWDGL
217
LSYQDSLSCR
227
LVFLLMQYCV
237

AANYYWLLVE
247
GVYLYTLLAF
257
SVFSEQWIFR
267
LYVSIGWGVP
277
LLFVVPWGIV
287

KYLYEDEGCW
297
TRNSNMNYWL
307
IIRLPILFAI
317
GVNFLIFVRV
327
ICIVVSKLKA
337

NLDIKCRLAK
351
STLTLIPLLG
361
THEVIFAFVM
371
DEHARGTLRF
381
IKLFTELSFT
391

SFQGLMVAIL
401
YCFVNNEVQL
411
EFRKSWERWR
421
Residue
Distance (Å)
SER31
3.331
TRP33
3.583
GLU34
3.915
PRO137
3.837
GLU138
3.856
LEU141
3.613
LEU144
3.235
TYR145
3.345
TYR148
3.838
ILE196
4.815
LYS197
2.612
ASP198
4.467
ALA200
4.248
LEU201
3.548
Residue
Distance (Å)
LYS202
3.733
MET204
4.010
TYR205
3.493
TYR220
3.612
CYS226
3.346
VAL229
4.097
PHE230
3.478
MET233
3.840
CYS296
4.789
THR298
4.064
TRP306
4.869
LEU384
3.769
LEU388
3.574
PDB ID: 7E14      Compound2_GLP-1R_OWL833_Gs complex structure
Method Electron microscopy Resolution 2.90 Å Mutation No [2]
PDB Sequence
TVSLWETVQK
38
WREYRRQCQR
48
SLTEDPPPAT
58
DLFCNRTFDE
68
YACWPDGEPG
78

SFVNVSCPWY
88
LPWASSVPQG
98
HVYRFCTAEG
108
LWLQKDNSSL
118
PWRDLSECEE
128

SSPEEQLLFL
144
YIIYTVGYAL
154
SFSALVIASA
164
ILLGFRHLHC
174
TRNYIHLNLF
184

ASFILRALSV
194
FIKDAALKWM
204
YSTAAQQHQW
214
DGLLSYQDSL
224
SCRLVFLLMQ
234

YCVAANYYWL
244
LVEGVYLYTL
254
LAFSVLSEQW
264
IFRLYVSIGW
274
GVPLLFVVPW
284

GIVKYLYEDE
294
GCWTRNSNMN
304
YWLIIRLPIL
314
FAIGVNFLIF
324
VRVICIVVSK
334

LKADIKCRLA
350
KSTLTLIPLL
360
GTHEVIFAGT
378
LRFIKLFTEL
388
SFTSFQGLMV
398

AILYCFVNNE
408
VQLEFRKSWE
418
RWRLE
Residue
Distance (Å)
SER31
3.162
TRP33
4.100
GLU34
3.380
PRO137
3.413
GLU138
3.546
LEU141
3.398
LEU142
4.948
LEU144
3.296
TYR145
3.169
TYR148
3.069
ILE196
4.631
LYS197
3.032
ASP198
2.740
ALA200
3.735
LEU201
3.745
Residue
Distance (Å)
LYS202
3.606
MET204
3.622
TYR205
3.576
TYR220
3.205
CYS226
3.149
VAL229
3.655
PHE230
3.495
MET233
3.595
GLN234
4.359
CYS296
4.702
THR298
3.252
ARG380
4.585
LEU384
3.895
LEU388
3.728
References  Top
REF 1 Structural basis for GLP-1 receptor activation by LY3502970, an orally active nonpeptide agonist. Proc Natl Acad Sci U S A. 2020 Nov 24;117(47):29959-29967.
REF 2 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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