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GLASS

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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	CHEMBL1271815
Molecular formula	C24H35N5O
IUPAC name	N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-6-propan-2-ylpyrimidine-4-carboxamide
Molecular weight	409.578
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.1
Synonyms	CHEMBL1617880 BDBM50329951 N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-6-isopropyl-2-methylpyrimidine-4-carboxamide Hydrochloride
Inchi Key	ADGQMFGFECWRRY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H35N5O/c1-17(2)21-16-22(27-20(5)26-21)24(30)25-10-7-11-28-12-14-29(15-13-28)23-9-6-8-18(3)19(23)4/h6,8-9,16-17H,7,10-15H2,1-5H3,(H,25,30)
PubChem CID	52945494
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50329951
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	1548.0 nM	PMID20933409	BindingDB

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