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Name | 5-hydroxytryptamine receptor 2A |
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Species | Sus scrofa (Pig) |
Gene | HTR2A |
Synonym | 5-HT-2 5-HT-2A 5-HT2A Serotonin receptor 2A |
Disease | N/A for non-human GPCRs |
Length | 470 |
Amino acid sequence | MDVLCEENTSLSSPTNSFMQLNDDTRLYHNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHRRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQTGQKENSKQDDKATENDCTMVALGKQHSEDAPADNSNTVNEKVSCV |
UniProt | P50129 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL2490 |
IUPHAR | N/A |
DrugBank | N/A |
Name | LY-197541 |
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Molecular formula | C24H34N2O3 |
IUPAC name | 3-hydroxybutan-2-yl (6aR,9R,10aR)-7-methyl-4-(2-methylpropyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate |
Molecular weight | 398.547 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.6 |
Synonyms | BDBM84938 (6aR)-7-Methyl-4-isobutyl-4,6,6aI+/-,7,8,9,10,10aI(2)-octahydroindolo[4,3-fg]quinoline-9I+/--carboxylic acid 2-hydroxy-1-methylpropyl ester 6-Methyl-1-(2-methylpropyl)ergoline-8I(2)-carboxylic acid 2-hydroxy-1-methylpropyl ester LY 197541 |
Inchi Key | NRMCOBVLHDZQFD-XCXPZOIVSA-N |
Inchi ID | InChI=1S/C24H34N2O3/c1-14(2)11-26-13-17-10-22-20(19-7-6-8-21(26)23(17)19)9-18(12-25(22)5)24(28)29-16(4)15(3)27/h6-8,13-16,18,20,22,27H,9-12H2,1-5H3/t15?,16?,18-,20-,22-/m1/s1 |
PubChem CID | 57339931 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 84938 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 148.0 nM | PMID8510008 | BindingDB |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417