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GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

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	alpha-[1-[2-(4-Fluorophenyl)ethyl]piperidine-4-yl]-2,3-dimethoxybenzyl alcohol L001296 PDSP1_001496 (2,3-dimethoxy-phenyl)-{1-[2-(4-fluorophenyl)-ethyl}-piperidin-4-yl}-methanol BW A360C MDL 100105 racemic alpha(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol AC1Q4NRW alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol D03QNE MDL100105 SCHEMBL340674 (+/-)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AN-5556 LS-115604 PDSP2_001480 (2,3-Dimethoxyphenyl)-(1-(2-p-fluorophenylethyl)-piperidine-4-yl)-methanol a-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol C22H28FNO3 MDL 100151 racemic alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol (+/-)-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 alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]4-piperidine methanol HXTGXYRHXAGCFP-UHFFFAOYSA-N MolPort-039-331-873 (1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethoxyphenyl)methanol 4-Piperidinemethanol, alpha-(2,3-dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-, (+)- BDBM50232153 Mdl 100,907 racemic alpha(2,3-dimethoxyphenyl)- 1 -[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methanol AC1L1U2G alpha-(2,3-Dimethoxyphenyl)-1-(2-(4-fluorophenylethyl))-4-piperidine methanol CHEMBL257283 MDL 100907, (+/-)- SCHEMBL13701277 (+/-)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-ethyl]-4-piperidinemethanol [ 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	540.0 nM	PMID16469866	BindingDB
Ki	3.8 nM	PMID16469866	BindingDB
Ki	30.1995 nM	PMID15322733	PDSP
Ki	30.2 nM	PMID15322733	BindingDB
Ki	63.44 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	136.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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