Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T67162 | Target Info | |||
| Target Name | Dopamine D2 receptor (D2R) | ||||
| Synonyms | Dopamine receptor 2; D(2) dopamine receptor | ||||
| Target Type | Successful Target | ||||
| Gene Name | DRD2 | ||||
| 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: 6CM4 Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone | ||||||
| Method | X-ray diffraction | Resolution | 2.87 Å | Mutation | No | [1] |
| PDB Sequence |
NYYATLLTLL
44 IAVIVFGNVL54 VCMAVSREKA64 LQTTTNYLIV74 SLAVADLLVA84 TLVMPWVVYL 94 EVVGEWKFSR104 IHCDIFVTLD114 VMMCTASALN124 LCAISIDRYT134 AVAMPTRYSS 148 KRRVTVMISI158 VWVLSFTISC168 PLLFGLNNAD178 QNECIIANPA188 FVVYSSIVSF 198 YVPFIVTLLV208 YIKIYIVLRR218 RRKRNIFEML1007 RIDEGLRLKI1017 YKDTEGYYTI 1027 GIGHLLTKSP1037 SLNAAKSELD1047 KAIGRNTNGV1057 ITKDEAEKLF1067 NQDVDAAVRG 1077 ILRNAKLKPV1087 YDSLDAVRRA1097 ALINMVFQMG1107 ETGVAGFTNS1117 LRMLQQKRWD 1127 EAAVNLAKSR1137 WYNQTPNRAK1147 RVITTFRTGT1157 WDAYSQQKEK369 KATQMAAIVA 379 GVFIICWLPF389 FITHILNIHC399 DCNIPPVLYS409 AFTWLGYVNS419 AVNPIIYTTF 429 NIEFRKAFLK439 ILH
|
|||||
|
|
ALA122
3.659
LEU125
4.175
ILE130
4.159
TYR133
2.384
THR134
4.368
MET138
4.473
ARG151
3.805
MET155
4.822
PHE198
4.832
PRO201
3.995
PHE202
3.287
VAL204
4.164
|
|||||
| PDB ID: 6LUQ Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [2] |
| PDB Sequence |
NYYATLLTLL
44 IAVIVFGNVL54 VCMAVSREKA64 LQTTTNYLIV74 SLAVADLLVA84 TLVMPWVVYL 94 EVVGEWKFSR104 IHCDIFVTLD114 VMMCTASALN124 LCAISIDRYT134 AVAMPTRYSS 148 KRRVTVMISI158 VWVLSFTISC168 PLLFGLNNAD178 QNECIIANPA188 FVVYSSIVSF 198 YVPFIVTLLV208 YIKIYIVLRR218 RRKRNIFEML228 RIDEGLRLKI238 YKDTEGYYTI 248 GIGHLLTKSP258 SLNAAKSELD268 KAIGRNTNGV278 ITKDEAEKLF288 NQDVDAAVRG 298 ILRNAKLKPV308 YDSLDAVRRA318 ALINMVFQMG328 ETGVAGFTNS338 LRMLQQKRWD 348 EAAVNLAKSR358 WYNQTPNRAK368 RVITTFRTGT378 WDAYQKEKKA392 TQMAAIVAGV 402 FIICWLPFFI412 THILNIHCDC422 NIPPVLYSAF432 TWLGYVNSAV442 NPIIYTTFNI 452 EFRKAFLKIL462 H
|
|||||
|
|
ALA122
3.948
LEU123
3.709
LEU125
3.798
CYS126
3.490
ALA127
3.447
ILE130
3.449
TYR133
3.382
THR134
3.496
MET138
4.116
SER147
4.521
ARG150
2.823
ARG151
3.727
VAL154
3.865
MET155
3.966
ILE158
3.977
VAL159
4.128
LEU162
4.281
VAL200
4.583
PRO201
4.572
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone. Nature. 2018 Mar 8;555(7695):269-273. | ||||
| REF 2 | Haloperidol bound D(2) dopamine receptor structure inspired the discovery of subtype selective ligands. Nat Commun. 2020 Feb 26;11(1):1074. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.