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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	N-(4-fluorophenyl)-6-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Molecular formula	C15H15FN6O
IUPAC name	N-(4-fluorophenyl)-6-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Molecular weight	314.324
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.2
Synonyms	N-(4-fluorophenyl)-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine 1105223-76-4 CHEMBL2393269 STK944773 MolPort-008-345-039 SR-01000922313 AKOS005655429 F5325-0064 ZINC23135917 SR-01000922313-1 MCULE-5850939098 [ Show all ]
Inchi Key	ALXXXCXQNDTUNV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H15FN6O/c16-10-1-3-11(4-2-10)18-13-12-9-17-21-14(12)20-15(19-13)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H2,17,18,19,20,21)
PubChem CID	30859359
ChEMBL	CHEMBL2393269
IUPHAR	N/A
BindingDB	N/A
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	2071.0 nM	PMID23537943	ChEMBL
Inhibition	81.0 %	PMID23537943	ChEMBL

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