Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T28893 | Target Info | |||
| Target Name | Muscarinic acetylcholine receptor M1 (CHRM1) | ||||
| Synonyms | M1 receptor | ||||
| Target Type | Successful Target | ||||
| Gene Name | CHRM1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Oleic acid | Ligand Info | |||
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)O | ||||
| InChI | 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- | ||||
| InChIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N | ||||
| PubChem Compound ID | 445639 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6ZFZ Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A | ||||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [1] |
| PDB Sequence |
METVEMVAIA
29 TVAGLLSLAT39 VTGNILLMLS49 IKVNRQLQTV59 NNYFAFSLAC69 ADLIIGAFSM 79 NLYTVYIIMG89 HWALGALACD99 LALALDYVAS109 NAAVMNLLLI119 SFDRYFSVTR 129 PLSYRAKRTP139 RRALLMIGLA149 WLVSFVLWAP159 AILFWQYLVG169 ERTVLAGQCY 179 IQFLSQPIIT189 FGTAMATFYL199 PVTVMCTLYW209 RIYRETENRA219 NIFEMLRIDE 1011 GLRLKIYKDT1021 EGYYTIGIGH1031 LLTKSPSLNA1041 AKSELDKAIG1051 RNTNGVITKD 1061 EAEKLFNQDV1071 DAAVRGILRN1081 AKLKPVYDSL1091 DAVRRAALIN1101 MVFQMGETGV 1111 AGFTNSLRML1121 QQKRWDEAAV1131 NLAKSRWYNQ1141 TPNRAKRVIT1151 TFRTGTWDAY 1161 TFSLVKEKAA363 LRTLSAILLA373 FILTWTPYNI383 MVLVSTFCKD393 CVPETLWELG 403 YWLCYVNATI413 NPMCYALCNK423 AFRDTFRLLL433 LARWDH
|
|||||
|
|
ALA27
4.191
ILE28
3.843
VAL31
3.940
ILE44
4.366
MET47
3.895
LEU48
4.126
ILE50
3.871
LYS51
3.786
GLN57
3.472
TYR62
2.842
PHE65
3.566
SER66
4.457
CYS69
3.992
LEU72
3.911
ILE73
3.794
PHE77
3.678
LEU81
3.819
ALA92
4.869
LEU93
3.744
ALA97
3.991
LEU100
3.472
ALA101
4.074
ALA103
4.057
LEU104
3.745
VAL107
3.707
MET114
3.660
LEU117
4.547
LEU118
3.795
PHE121
3.690
PHE125
3.406
PRO139
4.609
ARG141
3.927
LEU143
2.886
LEU144
4.932
MET145
4.384
ILE146
3.789
GLY147
3.565
LEU148
4.026
ALA149
3.918
TRP150
3.728
LEU151
3.753
VAL152
4.893
PHE154
3.619
VAL155
3.973
ALA158
4.383
LEU162
4.343
THR398
2.978
LEU402
4.048
ILE413
3.839
MET416
3.864
CYS417
3.801
LEU420
3.772
|
|||||
| PDB ID: 6ZG4 Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A | ||||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | Yes | [1] |
| PDB Sequence |
METVEMVAIA
29 TVAGLLSLAT39 VTGNILLMLS49 IKVNRQLQTV59 NNYFAFSLAC69 ADLIIGAFSM 79 NLYTVYIIMG89 HWALGALACD99 LALALDYVAS109 NAAVMNLLLI119 SFDRYFSVTR 129 PLSYRAKRTP139 RRALLMIGLA149 WLVSFVLWAP159 AILFWQYLVG169 ERTVLAGQCY 179 IQFLSQPIIT189 FGTAMATFYL199 PVTVMCTLYW209 RIYRETENRA219 NIFEMLRIDE 1011 GLRLKIYKDT1021 EGYYTIGIGH1031 LLTKSPSLNA1041 AKSELDKAIG1051 RNTNGVITKD 1061 EAEKLFNQDV1071 DAAVRGILRN1081 AKLKPVYDSL1091 DAVRRAALIN1101 MVFQMGETGV 1111 AGFTNSLRML1121 QQKRWDEAAV1131 NLAKSRWYNQ1141 TPNRAKRVIT1151 TFRTGTWDAY 1161 TFSLVKEKAA363 LRTLSAILLA373 FILTWTPYNI383 MVLVSTFCKD393 CVPETLWELG 403 YWLCYVNATI413 NPMCYALCNK423 AFRDTFRLLL433 LARWDH
|
|||||
|
|
GLU24
3.672
ALA27
4.766
ILE28
3.838
THR30
4.547
VAL31
3.726
ALA32
4.444
LEU35
3.729
LEU37
4.744
ALA38
3.639
THR41
4.072
GLY42
3.795
LEU45
3.878
ILE50
4.495
GLN57
3.858
TYR62
3.707
PHE65
3.730
SER66
4.309
CYS69
3.813
LEU72
4.673
ILE73
3.840
ALA76
3.369
PHE77
3.647
ASN80
3.725
LEU81
3.622
VAL84
3.798
ILE86
4.302
MET88
3.855
ALA92
4.343
LEU93
3.312
GLY94
3.777
ALA95
3.145
LEU96
3.260
ALA97
3.732
LEU100
4.108
LEU104
4.479
ASN110
4.191
MET114
3.649
LEU117
4.181
LEU118
3.557
PHE121
3.722
PHE125
3.986
TYR133
3.853
ARG141
2.827
LEU143
3.824
MET145
3.642
ILE146
4.053
LEU148
3.781
ALA149
3.788
TRP150
3.548
VAL152
4.884
LEU156
3.368
TRP157
4.030
PRO159
3.714
ALA160
3.781
PHE163
3.082
TRP164
4.994
TYR166
4.941
LEU167
3.904
ALA175
3.606
PHE182
3.746
THR192
3.733
ALA195
4.216
THR196
3.854
ILE375
3.858
THR379
3.777
PRO380
4.012
ILE383
3.827
MET384
4.271
VAL387
3.804
CYS394
3.600
VAL395
4.109
PRO396
3.851
THR398
3.793
LEU399
3.742
GLU401
2.926
LEU402
3.767
TRP405
3.431
LEU406
3.917
VAL409
4.570
PRO415
4.062
MET416
3.711
ALA419
3.711
LEU420
3.555
ARG426
3.775
PHE429
3.786
GLU1011
3.557
ILE1029
3.402
GLY1030
3.494
ASP1070
3.911
ALA1074
4.995
VAL1103
3.354
PHE1104
3.253
GLN1105
3.323
MET1106
4.296
GLY1107
3.749
GLU1108
3.772
|
|||||
| PDB ID: 6ZG9 Structure of M1-StaR-T4L in complex with GSK1034702 at 2.5A | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
METVEMVAIA
29 TVAGLLSLAT39 VTGNILLMLS49 IKVNRQLQTV59 NNYFAFSLAC69 ADLIIGAFSM 79 NLYTVYIIMG89 HWALGALACD99 LALALDYVAS109 NAAVMNLLLI119 SFDRYFSVTR 129 PLSYRAKRTP139 RRALLMIGLA149 WLVSFVLWAP159 AILFWQYLVG169 ERTVLAGQCY 179 IQFLSQPIIT189 FGTAMATFYL199 PVTVMCTLYW209 RIYRETENRA219 NIFEMLRIDE 1011 GLRLKIYKDT1021 EGYYTIGIGH1031 LLTKSPSLNA1041 AKSELDKAIG1051 RNTNGVITKD 1061 EAEKLFNQDV1071 DAAVRGILRN1081 AKLKPVYDSL1091 DAVRRAALIN1101 MVFQMGETGV 1111 AGFTNSLRML1121 QQKRWDEAAV1131 NLAKSRWYNQ1141 TPNRAKRVIT1151 TFRTGTWDAY 1161 TFSLVKEKAA363 LRTLSAILLA373 FILTWTPYNI383 MVLVSTFCKD393 CVPETLWELG 403 YWLCYVNATI413 NPMCYALCNK423 AFRDTFRLLL433 LARWDH
|
|||||
|
|
MET20
4.181
GLU24
3.475
ILE28
3.809
VAL31
4.058
ALA32
4.632
LEU35
4.310
ILE50
3.901
GLN57
3.553
TYR62
3.749
PHE65
3.591
SER66
4.504
CYS69
4.273
ILE73
3.675
PHE77
4.036
LEU81
3.910
VAL84
3.705
TYR85
3.957
ILE86
4.165
MET88
3.791
HIS90
3.114
TRP91
3.158
ALA92
3.342
LEU93
3.289
GLY94
3.454
ALA95
3.118
LEU96
3.690
ALA97
3.351
LEU100
3.366
ALA101
3.755
ALA103
3.889
LEU104
3.656
VAL107
3.582
LEU143
2.819
ILE146
3.479
GLY147
3.520
TRP150
3.421
LEU151
4.146
PHE154
3.689
ALA175
3.251
GLY176
4.858
PRO396
4.681
THR398
3.323
GLU401
3.258
LEU402
3.964
TRP405
3.539
LEU406
3.797
VAL409
4.608
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease. Cell. 2021 Nov 24;184(24):5886-5901.e22. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.