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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	64022-27-1
Molecular formula	C8H11ClN4
IUPAC name	2-chloro-6-piperazin-1-ylpyrazine
Molecular weight	198.654
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	0.5
Synonyms	CHEMBL269521 KB-199285 NCGC00024891-01 Tocris-0941 1-(6-chloro-2-pyrazinyl)piperazine 6-Chloro-2-(1-piperazinyl)pyrazine AKOS006229696 BPBio1_000111 D02ESW LS-127601 NSC317326 2-chloro-6-(piperazin-1-yl)pyrazine 62C3N7238U CHEBI:92360 FT-0707954 MK-212 Pyrazine, 2-chloro-6-(1-piperazinyl)- 6''-Chloro-3,4,5,6-tetrahydro-2H-[1,2'']bipyrazinyl AC1L334H CJAWPFJGFFNXQI-UHFFFAOYSA-N L-630,571 NCGC00024891-02 UNII-62C3N7238U 6-chloro-2-[1-piperazinyl]-pyrazine BDBM50017452 BRD-K19554809-001-01-1 DB12111 M-3644 PDSP1_000735 2-chloro-6-piperazin-1-ylpyrazine GTPL165 MK212 SCHEMBL255453 6''-Chloro-3,4,5,6-tetrahydro-2H-[1,2'']bipyrazinyl(MK-212) AC1Q3PR0 CTK8D5384 L001055 NSC-317326 ZINC1571800 2-Chloro-6-(1-piperazinyl)pyrazine 61655-58-1 (mono-hydrochloride) Biomol-NT_000130 C90119 DTXSID80214007 MK 212 PDSP2_000725 AB21523 [ Show all ]
Inchi Key	CJAWPFJGFFNXQI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H11ClN4/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
PubChem CID	107992
ChEMBL	CHEMBL269521
IUPHAR	165
BindingDB	50017452
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	28.0 nM	PMID23301527	BindingDB,ChEMBL
EC50	28.18 nM	PMID23301527	ChEMBL
EC50	160.0 nM	PMID23301527	BindingDB,ChEMBL
EC50	162.18 nM	PMID23301527	ChEMBL
Emax	93.0 %	PMID23301527	ChEMBL
Ki	97.72 nM	PMID15322733	BindingDB
Ki	97.7237 nM	PMID15322733	PDSP
Ki	100.0 - 2511.89 nM	PMID15322733, PMID12970106, PMID10611640	IUPHAR
Ki	213.796 nM	PMID10498829	PDSP
Ki	213.8 nM	PMID10498829	BindingDB
Ki	891.25 nM	PMID11882920	BindingDB
Ki	891.251 nM	PMID11882920	PDSP
Ki	3388.44 nM	PMID23301527	ChEMBL
Ki	3400.0 nM	PMID23301527	BindingDB,ChEMBL

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