Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T76685 Target Info
Target Name Cannabinoid receptor 1 (CB1)
Synonyms Cannabinoid CB1 receptor; CNR; CB-R; CANN6
Target Type Successful Target
Gene Name CNR1
Biochemical Class GPCR rhodopsin
UniProt ID
CNR1_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: [3H]CP55940 Ligand Info
Structure Description Cryo-EM structure of human receptor with G proteins PDB:7WV9
Method Electron microscopy Resolution 3.36 Å Mutation Yes [1]
PDB Sequence
ECFMVLNPSQ
115
QLAIAVLSLT
125
LGTFTVLENL
135
LVLCVILHSR
145
SLRCRPSYHF
155

IGSLAVADLL
165
GSVIFVYSFI
175
DFHVFHRKDS
185
RNVFLFKLGG
195
VTASFTASVG
205

SLFLTAIDRY
215
ISIHRPLAYK
225
RIVTRPKAVV
235
AFCLMWTIAI
245
VIAVLPLLGW
255

NCEKLQSVCS
265
DIFPHIDETY
275
LMFWIGVTSV
285
LLLFIVYAYM
295
YILWKAHSHA
305

VRMIQRGTQK
315
PDQARMDIRL
341
AKTLVLILVV
351
LIICWGPLLA
361
IMVYDVFGKM
371

NKLIKTVFAF
381
CSMLCLLNST
391
VNPIIYALRS
401
KDLRHAFRSM
411
Residue
Distance (Å)
PHE170
3.517
SER173
2.561
PHE174
3.354
PHE177
3.540
HIS178
4.792
PHE189
4.757
LYS192
4.461
LEU193
3.586
VAL196
3.806
THR197
3.280
Residue
Distance (Å)
PHE200
3.718
ILE267
2.481
PHE268
3.442
PRO269
3.865
LEU276
3.995
TRP279
4.230
MET363
3.683
PHE379
3.491
SER383
4.868
CYS386
3.967
Ligand Name: Cholesterol Ligand Info
Structure Description Cannabinoid Receptor 1-G Protein Complex PDB:6N4B
Method Electron microscopy Resolution 3.00 Å Mutation No [2]
PDB Sequence
MVLNPSQQLA
118
IAVLSLTLGT
128
FTVLENLLVL
138
CVILHSRSLR
148
CRPSYHFIGS
158

LAVADLLGSV
168
IFVYSFIDFH
178
VFHRKDSRNV
188
FLFKLGGVTA
198
SFTASVGSLF
208

LTAIDRYISI
218
HRPLAYKRIV
228
TRPKAVVAFC
238
LMWTIAIVIA
248
VLPLLGWNCC
264

SDIFPHIDET
274
YLMFWIGVTS
284
VLLLFIVYAY
294
MYILWKAHSH
304
AVRMIQRGTA
335

RMDIRLAKTL
345
VLILVVLIIC
355
WGPLLAIMVY
365
DVFGKMNKLI
375
KTVFAFCSML
385

CLLNSTVNPI
395
IYALRSKDLR
405
HAFRSM
Residue
Distance (Å)
GLY205
4.971
PHE208
4.013
LEU209
4.562
ILE212
4.003
TYR215
4.238
ILE216
3.809
HIS219
3.772
ARG220
4.309
ALA223
4.479
Residue
Distance (Å)
ILE227
2.059
LYS232
3.482
VAL235
4.224
ALA236
3.457
LEU239
2.868
MET240
3.032
ILE243
3.809
LEU286
4.786
PHE289
4.437
Ligand Name: 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole Ligand Info
Structure Description Cryo-EM structure of human receptor with G proteins PDB:7WV9
Method Electron microscopy Resolution 3.36 Å Mutation Yes [1]
PDB Sequence
ECFMVLNPSQ
115
QLAIAVLSLT
125
LGTFTVLENL
135
LVLCVILHSR
145
SLRCRPSYHF
155

IGSLAVADLL
165
GSVIFVYSFI
175
DFHVFHRKDS
185
RNVFLFKLGG
195
VTASFTASVG
205

SLFLTAIDRY
215
ISIHRPLAYK
225
RIVTRPKAVV
235
AFCLMWTIAI
245
VIAVLPLLGW
255

NCEKLQSVCS
265
DIFPHIDETY
275
LMFWIGVTSV
285
LLLFIVYAYM
295
YILWKAHSHA
305

VRMIQRGTQK
315
PDQARMDIRL
341
AKTLVLILVV
351
LIICWGPLLA
361
IMVYDVFGKM
371

NKLIKTVFAF
381
CSMLCLLNST
391
VNPIIYALRS
401
KDLRHAFRSM
411
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7IC or .7IC2 or .7IC3 or :37IC;style chemicals stick;color identity;select .R:165 or .R:169 or .R:191 or .R:192 or .R:194 or .R:195 or .R:198 or .R:241 or .R:245 or .R:248 or .R:249; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU165
4.026
ILE169
3.835
PHE191
3.351
LYS192
3.644
GLY194
3.265
GLY195
3.434
Residue
Distance (Å)
ALA198
3.906
TRP241
4.735
ILE245
4.977
ALA248
3.618
VAL249
3.469
Ligand Name: (6aR,9R,10aR)-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyloctan-2-yl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol Ligand Info
Structure Description Cryo-EM structure of CB1-G protein complex PDB:6KPG
Method Electron microscopy Resolution 3.00 Å Mutation Yes [3]
PDB Sequence
ECFMVLNPSQ
115
QLAIAVLSLT
125
LGTFTVLENL
135
LVLCVILHSR
145
SLRCRPSYHF
155

IGSLAVADLL
165
GSVIFVYSFI
175
DFHVFHRKDS
185
RNVFLFKLGG
195
VTASFTASVG
205

SLFLTAIDRY
215
ISIHRPLAYK
225
RIVTRPKAVV
235
AFCLMWTIAI
245
VIAVLPLLGW
255

NCEKLQSVCS
265
DIFPHIDKTY
275
LMFWIGVVSV
285
LLLFIVYAYM
295
YILWKAHSHA
305

VRMIQRGTAR
336
MDIELAKTLV
346
LILVVLIICW
356
GPLLAIMVYD
366
VFGKMNKLIK
376

TVFAFCSMLC
386
LLNSTVNPII
396
YALRSKDLRH
406
AFRSM
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8D0 or .8D02 or .8D03 or :38D0;style chemicals stick;color identity;select .R:108 or .R:170 or .R:173 or .R:174 or .R:177 or .R:178 or .R:189 or .R:193 or .R:196 or .R:197 or .R:200 or .R:248 or .R:251 or .R:267 or .R:268 or .R:271 or .R:275 or .R:276 or .R:279 or .R:359 or .R:363 or .R:379 or .R:383 or .R:386; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE108
3.568
PHE170
3.507
SER173
3.278
PHE174
3.860
PHE177
3.197
HIS178
3.186
PHE189
4.174
LEU193
3.547
VAL196
3.684
THR197
3.518
PHE200
3.632
ALA248
3.654
Residue
Distance (Å)
PRO251
3.716
ILE267
3.903
PHE268
3.588
ILE271
3.813
TYR275
3.366
LEU276
3.708
TRP279
3.552
LEU359
3.697
MET363
4.550
PHE379
3.112
SER383
3.235
CYS386
3.762
Ligand Name: Mdmb-fubinaca Ligand Info
Structure Description Cannabinoid Receptor 1-G Protein Complex PDB:6N4B
Method Electron microscopy Resolution 3.00 Å Mutation No [2]
PDB Sequence
MVLNPSQQLA
118
IAVLSLTLGT
128
FTVLENLLVL
138
CVILHSRSLR
148
CRPSYHFIGS
158

LAVADLLGSV
168
IFVYSFIDFH
178
VFHRKDSRNV
188
FLFKLGGVTA
198
SFTASVGSLF
208

LTAIDRYISI
218
HRPLAYKRIV
228
TRPKAVVAFC
238
LMWTIAIVIA
248
VLPLLGWNCC
264

SDIFPHIDET
274
YLMFWIGVTS
284
VLLLFIVYAY
294
MYILWKAHSH
304
AVRMIQRGTA
335

RMDIRLAKTL
345
VLILVVLIIC
355
WGPLLAIMVY
365
DVFGKMNKLI
375
KTVFAFCSML
385

CLLNSTVNPI
395
IYALRSKDLR
405
HAFRSM
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KCA or .KCA2 or .KCA3 or :3KCA;style chemicals stick;color identity;select .R:170 or .R:173 or .R:174 or .R:177 or .R:178 or .R:192 or .R:193 or .R:196 or .R:197 or .R:200 or .R:268 or .R:269 or .R:271 or .R:275 or .R:276 or .R:279 or .R:356 or .R:359 or .R:363 or .R:379 or .R:383 or .R:386; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE170
3.786
SER173
3.294
PHE174
3.754
PHE177
3.515
HIS178
3.068
LYS192
4.773
LEU193
4.504
VAL196
3.697
THR197
3.111
PHE200
3.863
PHE268
3.482
Residue
Distance (Å)
PRO269
4.287
ILE271
4.862
TYR275
4.012
LEU276
4.167
TRP279
4.749
TRP356
4.466
LEU359
4.571
MET363
4.470
PHE379
4.018
SER383
4.313
CYS386
4.937
References  Top
REF 1 Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat Chem Biol. 2022 Aug;18(8):831-840.
REF 2 Structure of a Signaling Cannabinoid Receptor 1-G Protein Complex. Cell. 2019 Jan 24;176(3):448-458.e12.
REF 3 Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-G(i) Complex Structures. Cell. 2020 Feb 20;180(4):655-665.e18.

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