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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	139290-69-0
Molecular formula	C22H28FNO3
IUPAC name	(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
Molecular weight	373.468
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.9
Synonyms	(2,3-dimethoxy-phenyl)-{1-[2-(4-fluorophenyl)-ethyl}-piperidin-4-yl}-methanol alpha-[1-[2-(4-Fluorophenyl)ethyl]piperidine-4-yl]-2,3-dimethoxybenzyl alcohol L001296 PDSP1_001496 (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol AC1Q4NRW BW A360C MDL 100105 racemic alpha(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol (+/-)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol D03QNE MDL100105 SCHEMBL340674 (2,3-Dimethoxyphenyl)-(1-(2-p-fluorophenylethyl)-piperidine-4-yl)-methanol a-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AN-5556 LS-115604 PDSP2_001480 (+/-)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINE-METHANOL (2,3-dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methanol AKOS027338720 C22H28FNO3 MDL 100151 racemic alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol (1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethoxyphenyl)methanol 4-Piperidinemethanol, alpha-(2,3-dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-, (+)- alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]4-piperidine methanol HXTGXYRHXAGCFP-UHFFFAOYSA-N MolPort-039-331-873 (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methanol AC1L1U2G BDBM50232153 Mdl 100,907 racemic alpha(2,3-dimethoxyphenyl)- 1 -[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol (+/-)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-ethyl]-4-piperidinemethanol alpha-(2,3-Dimethoxyphenyl)-1-(2-(4-fluorophenylethyl))-4-piperidine methanol CHEMBL257283 MDL 100907, (+/-)- SCHEMBL13701277 [ Show all ]
Inchi Key	HXTGXYRHXAGCFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
PubChem CID	60858
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50232153
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.1 nM	PMID16469866	BindingDB
Ki	0.03 nM	PMID16469866	BindingDB
Ki	0.14 nM	PMID9577836	PDSP
Ki	0.81 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	0.85 nM	http://pdsp.med.unc.edu/pdsp.php, PMID8627580	PDSP
Ki	1.86 nM	PMID15322733	BindingDB
Ki	1.86209 nM	PMID15322733	PDSP

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