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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Rattus norvegicus (Rat)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProt	P14842
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	CHEMBL322
IUPHAR	6
DrugBank	N/A

Ligand

Name	buspirone
Molecular formula	C21H31N5O2
IUPAC name	8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight	385.512
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.6
Synonyms	ZINC1530571 DTXSID2022707 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione KB-250161 8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione Lopac0_000223 AKOS002313325 NCGC00015162-01 Axoren NCGC00015162-10 Biomol-NT_000108 Prestwick1_000369 Buspar (TN) Spamilan (TN) Buspirone (INN) C13H21NO2.C9H14N4 4332-EP2280008A2 D07593 8-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)-8-azaspiro[4.5]decane-7,9-dione Tox21_110092 Gen-Buspirone 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4,5]decane-7,9-dione KBio2_004804 AB00053432_13 MJ-9022-1 Ansiced NCGC00015162-04 BAS 00928841 NCGC00024905-02 BRD-K93461745-001-01-5 QWCRAEMEVRGPNT-UHFFFAOYSA-N Buspiron Spitomin (TN) Buspironum (buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione CAS-36505-84-7 4332-EP2298776A1 DB00490 8-Azaspiro(4.5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- UNII-TK65WKS8HL 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione : (Hydrochloride) HMS2090K19 8-[4-[4-(pyrimidine-2yl)-piperazine-1-yl]-butyl]-8-aza-spiro[4.5]decane-7.9-dione L001110 AJ-26666 N-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-1-cyclopentanediacetamide Anxiron (TN) NCGC00015162-07 Bespar (TN) NINDS_000921 BRN 0964904 SCHEMBL16398 Buspirona [INN-Spanish] Buspisal (TN) 36505-84-7 505B847 DSSTox_GSID_22707 TK65WKS8HL EINECS 253-072-2 8-[4-(4-pyrimidin-2-ylpiperazinyl)butyl]-8-azaspiro[4.5]decane-7,9-dione KBio1_000921 AB00053432 LS-22723 Ansial NCGC00015162-02 Axoren (TN) NCGC00016820-01 BPBio1_000547 Prestwick2_000369 Buspimen (TN) SPBio_002418 Buspirone [INN:BAN] C21H31N5O2 4332-EP2298764A1 D0U2OO 8-(4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl)-8-azaspiro[4.5]decane-7,9-dione # Tox21_110092_1 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]- Gen-Buspirone (TN) 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione KBio2_007372 AC1L1DRN MolPort-002-539-709 Ansiced (TN) NCGC00015162-05 BDBM50001859 NCGC00024905-03 BRD-K93461745-003-03-7 SBI-0050211.P003 Buspiron (TN) ST50759566 Buspironum [INN-Latin] CCG-204318 4332-EP2305678A1 DivK1c_000921 W-106606 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione; Hydrochloride(Buspirone) IDI1_000921 8-{4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl}-8-azaspiro[4.5]decane-7,9-dione Lopac-B-7148 AK129737 Narol (TN) AX8227689 NCGC00015162-08 BIDD:GT0519 Prestwick0_000369 BSPBio_000497 Sorbon (TN) C06861 4332-EP2275420A1 CHEMBL49 8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione DSSTox_RID_76696 Tocris-0962 FT-0621488 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]-butyl]-8-azaspiro[4.5]decane-7,9-dione KBio2_002236 AB00053432-12 MCULE-1919697845 Ansial (TN) NCGC00015162-03 AZA012 NCGC00024905-01 BPBio1_001403 Prestwick3_000369 Buspinol (TN) Spectrum_001756 Buspirone-MDTS CAS-33386-08-2 4332-EP2298765A1 8-Azaspiro(4,5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)piperizinyl)butyl)- Tox21_302371 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione GTPL36 8-[4-[4-(pyrimidine-2-yl)-piperazine-1-yl]-butyl]-8-aza-spiro[4.5]decane-7,9-dione KBioSS_002236 ACM36505847 MRF-0000691 Anxiron NCGC00015162-06 Bespar NCGC00255227-01 BRD-K93461745-003-14-4 SC-77430 Buspirona STK086268 Buspisal CHEBI:3223 DSSTox_CID_2707 [ Show all ]
Inchi Key	QWCRAEMEVRGPNT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
PubChem CID	2477
ChEMBL	CHEMBL49
IUPHAR	36
BindingDB	50001859
DrugBank	DB00490
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	PMID8960552	BindingDB,ChEMBL
Ki	482.0 nM	PMID8893838	BindingDB
Ki	482.0 nM	, PMID8893838, Bioorg. Med. Chem. Lett., (1996) 6:6:689	BindingDB,ChEMBL
Ki	758.57 nM	PMID9225287	BindingDB
Ki	870.96 nM	PMID8584042	BindingDB

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