Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T32060 | Target Info | |||
| Target Name | 5-HT 2A receptor (HTR2A) | ||||
| Synonyms | Serotonin receptor 2A; HTR2; 5-hydroxytryptamine receptor 2A; 5-HT-2A; 5-HT-2 | ||||
| Target Type | Successful Target | ||||
| Gene Name | HTR2A | ||||
| 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: 6WGT Crystal structure of HTR2A with hallucinogenic agonist | ||||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | No | [1] |
| PDB Sequence |
QEKNWSALLT
81 AVVIILTIAG91 NILVIMAVSL101 EKKLQNATNY111 FLMSLAIADM121 LLGFLVMPVS 131 MLTILYGYRW141 PLPSKLCAVW151 IYLDVLFSTA161 SIMHLCAISL171 DRYVAIQNPI 181 SRFNSRTKAF193 LKIIAVWTIS203 VGISMPIPVF213 GLSKVFKEGS226 CLLADDNFVL 236 IGSFVSFFIP246 ATIMVITYFL256 TIKSLQKEAA1001 DLEDNWETLN1011 DNLKVIEKAD 1021 NAAQVKDALT1031 KMRAAALDAQ1041 KATPPKEDKS1052 PDSPEMKDFR1062 HGFDILVGQI 1072 DDAKLAKEAQ1088 AAAEQLKTTR1098 NAYIQKYLTM312 QSISNEQKAC322 KVLGIVFFLF 332 VVMWCPFFIT342 NIMAVICKES352 CNEDVIGALL362 NVFVWIGYAS372 SAVNPLVYTL 382 FNKTYRSAFS392 RYIQCQY
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LEU80
3.742
VAL84
3.801
ILE86
4.931
ALA90
3.847
LEU94
3.902
ILE96
4.564
MET97
3.261
SER100
3.542
LEU101
4.482
ILE327
4.370
LEU331
4.049
|
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| PDB ID: 6WH4 Crystal structure of HTR2A with inverse agonist | ||||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | No | [1] |
| PDB Sequence |
LQEKNWSALL
80 TAVVIILTIA90 GNILVIMAVS100 LEKKLQNATN110 YFLMSLAIAD120 MLLGFLVMPV 130 SMLTILYGYR140 WPLPSKLCAV150 WIYLDVLFST160 ASIMHLCAIS170 LDRYVAIQNP 180 IHHSRFNSRT190 KAFLKIIAVW200 TISVGISMPI210 PVFGLSKVFK223 EGSCLLADDN 233 FVLIGSFVSF243 FIPATIMVIT253 YFLTIKSLQK263 EAADLEDNWE1008 TLNDNLKVIE 1018 KADNAAQVKD1028 ALTKMRAAAL1038 DAQKATPPKS1052 PDSPEMKDFR1062 HGFDILVGQI 1072 DDALKLAKEA1087 QAAAEQLKTT1097 RNAYIQKYLT311 MQSISNEQKA321 CKVLGIVFFL 331 FVVMWCPFFI341 TNIMAVICKE351 SCNEDVIGAL361 LNVFVWIGYA371 SSAVNPLVYT 381 LFNKTYRSAF391 SRYIQCQY
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor. doi:10.1016/j.cell.2020.08.024. | ||||
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