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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	Prucalopride
Molecular formula	C18H26ClN3O3
IUPAC name	4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
Molecular weight	367.874
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.0
Synonyms	Y0251 179474-81-8 474P818 AC1MHJYO BDBM50122872 D09205 EX-A1333 MolPort-009-679-441 prucalopride(r-93877) s2875 4-Amino-5-chloro-2,3-dihydro-N-(1-(3-methoxypropyl)-4-piperidyl)-7-benzofurancarboxamide 7-Benzofurancarboxamide,4-amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]- AM84628 CHEBI:135552 DB06480 HMS3651F04 NCGC00253867-02 R 093877 SR-01000945275 4-amino-5-chloro-N-[1-(3-methoxypropyl)-4-piperidyl]-2,3-dihydrobenzofuran-7-carboxamide AB1008449 BCP02177 CS-2574 DSSTox_RID_97345 KS-000006NE Prucalopride (USAN/INN) R093877 Tox21_113885 ZINC1891034 AK170477 C18H26ClN3O3 D0F3ZT FT-0674128 Motegrity PubChem22481 SC-23104 4-Amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]-7-benzofurancarboxamide A25458 AN-3491 DSSTox_CID_31459 HY-14151 PB31402 R-093877 SR-01000945275-1 0A09IUW5TP 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide AC-23945 BCPP000099 D04QSJ DTXSID5057670 L000891 Prucalopride [USAN:INN:BAN] RL02293 UNII-0A09IUW5TP 4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxylic acid [1-(3-methoxy-propyl)-piperidin-4-yl]-amide 7-Benzofurancarboxamide, 4-amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]- AKOS015951096 CAS-179474-81-8 GTPL243 NCGC00253867-01 Q-3828 SCHEMBL16952 4-Amino-5-chloro-N-(1-(3-methoxypropyl)piperidin-4-yl)-2,3-dihydrobenzofuran-7-carboxamide AB0035840 AS-19549 CHEMBL117287 DSSTox_GSID_57670 KB-80141 R0-93877 SW219198-2 [ Show all ]
Inchi Key	ZPMNHBXQOOVQJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
PubChem CID	3052762
ChEMBL	CHEMBL117287
IUPHAR	243
BindingDB	50122872
DrugBank	DB06480
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID11438309	PDSP,BindingDB

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