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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

Ligand

Name	SERTINDOLE
Molecular formula	C24H26ClFN4O
IUPAC name	1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
Molecular weight	440.947
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.1
Synonyms	S-1991 1-(2-(4-(5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl)-1-piperidinyl)ethyl)-2-imidazolidinone Sertindol 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-1h-indol-3-yl]-1-piperidinyl]ethyl]-2-imidazolidinone Sertindolum 2-Imidazolidinone, 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1-piperidinyl]ethyl]- TRA0069359 AC1Q4NTT C24H26ClFN4O D00561 EBD52281 J-001604 MLS003899237 NCGC00181782-02 SCHEMBL112092 1-(2-(4-(5-Chloro-1-(p-fluorophenyl)indol-3-yl)piperidino)ethyl)-2-imidazolidinone Sertindole (USAN/INN) 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one SR-01000872708 5-chloro-1-(4-fluorophenyl)-3-[1-[2-(2-imidazolidinon-1-yl)ethyl]-4-piperidyl]-1H-indole AN-34348 CHEBI:9122 DB06144 GTPL98 L001396 PDSP2_001545 SerLect 1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]piperidin-1-yl}ethyl)imidazolidin-2-one Sertindole [USAN:INN] 2-Imidazolidinone, 1-(2-(4-(5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl)-1-piperidinyl)ethyl)- Tox21_113421 AB0088632 BDBM50001786 CS-2932 DSSTox_RID_83161 HMS3713P22 Lu-23-174 MolPort-005-933-379 S-7882 1-(2-(4-(5-Chloro-1-(4-fluorophenyl)-1H-indol-3-yl)piperidin-1-yl)ethyl)imidazolidin-2-one Sertindol [INN-Spanish] 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-indol-3-yl]-1-piperidyl]ethyl]imidazolidin-2-one Sertindolum [INN-Latin] 5-Chloro-1-(4'-fluorophenyl)-3-(1-(2-(2imidazolidinon-1-yl)ethyl)-4-piperidyl)-1H-indole UNII-GVV4Z879SP AJ-23391 CAS-106516-24-9 D0OS6O EX-A883 KB-80556 NCGC00181782-03 Serdolect 1-(2-(4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl)-ethyl)-imidazolidin-2-one sertindole hydrochloride 1-[2-[4-[5-Chloro-1-(p-fluorophenyl)indol-3-yl]piperidino]ethyl]-2-imidazolidinone SR-01000872708-1 API0004163 DSSTox_CID_28893 GVV4Z879SP LS-79363 RT-015689 SerLect (TN) 1-(2-{4-[5-Chloro-1-(p-fluorophenyl)indol-3-yl]piperidino}ethyl)-2-imidazolidinone Sertindole, >=97.5% (HPLC) 2-Imidazolidinone, 1-(2-(4-(5-chloro-1-(4-fluorophenyl)-1H-indole-3-yl)-1-piperidinyl)ethyl)- Tox21_113421_1 AC1L1SNB C07567 CTK8E8304 DTXSID6048967 HY-14543 MFCD00867749 NCGC00181782-01 S0942 1-(2-(4-(5-Chloro-1-(4-fluorophenyl)-1H-indole-3-yl)-1-piperidinyl)ethyl)-2-imidazolidinone 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-1-piperidyl]ethyl]imidazolidin-2-one SMR002204118 5-Chloro-1-(4'-fluorophenyl)-3-(1-(2-imidazolidinon-1-ylethyl)-4-piperidyl)-1H-indole ZINC538337 AKOS015962616 CCG-220640 FT-0674562 KS-000017R2 PDSP1_001561 Serdolect (TN) 1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1-piperidinyl}ethyl)-2-imidazolidinone Sertindole [USAN:INN:BAN] 106516-24-9 Tox21_113408 BCP27121 CHEMBL12713 DSSTox_GSID_48967 GZKLJWGUPQBVJQ-UHFFFAOYSA-N Lu 23-174 [ Show all ]
Inchi Key	GZKLJWGUPQBVJQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
PubChem CID	60149
ChEMBL	CHEMBL12713
IUPHAR	98
BindingDB	50001786
DrugBank	DB06144
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	0.14 nM	PMID11132243	PDSP,BindingDB
Ki	0.26 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	0.28 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	0.3 nM	PMID9015795, http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP,BindingDB
Ki	0.39 nM	PMID8935801	PDSP,BindingDB
Ki	0.398108 - 0.630958 nM	PMID8935801, PMID12629531, PMID12176106	IUPHAR
Ki	0.58 nM	PMID12629531	PDSP,BindingDB
Ki	0.6 nM	PMID12747773, PMID12176106	PDSP,BindingDB,ChEMBL
Ki	0.85 nM	PMID14998318	ChEMBL
Ki	0.85 nM	PMID14998318	BindingDB

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