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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	cisapride
Molecular formula	C23H29ClFN3O4
IUPAC name	4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
Molecular weight	465.95
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.4
Synonyms	EINECS 279-689-7 HSDB 3571 MolPort-003-666-853 4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl]-3-methoxy-piperidin-4-yl}-2-methoxy-benzamide Prestwick0_000430 ACMC-20m7on Propulsin BDBM50005836 SPBio_002359 C23H29ClFN3O4.H2O Vomiprid Cipride Cisapride [USAN:BAN:INN:JAN] D0BD8D FT-0623916 KB-289943 4-Amino-5-chloro-N-(1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl)-2-methoxybenzamide, cis- # NCGC00168465-01 Prestwick_786 Alimix R-51619 Benzamide, 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxy-, monohydrate, cis- T 1341 CHEBI:95129 Cisaprida [INN-Spanish] Cisapron Dispep HMS1569E22 LS-25437 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide Prepulsid, Propulsid AC1L1EFB Propulsid (TN) AN-14451 Risamol BRD-A12896037-001-02-7 Unamol CHEMBL560739 Cisapride (USAN/INN) CTK4A3424 DSSTox_RID_76746 Enteropride I01-0115 4-Amino-5-chloro-2-methoxy-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]benzamide NCGC00016944-01 4-AMINO-5-CHLORO-N-{1-[3-(4-FLUOROPHENOXY)PROPYL]-3-METHOXY-4-PIPERIDYL}-2-METHOXYBENZAMIDE Prestwick1_000430 Acpulsif Pulsid Benzamide, 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy -4-piperidinyl)-2-methoxy-, cis- STL058624 CAS-81098-60-4 Vomipride cis-4-Amino-5-chloro-N-(1-(3-(p-fluorophenoxy)propyl)-3-methoxy-4-piperidyl)-o-anisamide Cisapridum [INN-Latin] D0N1BQ GTPL240 (+-)-Cisapride Kinestase 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide Prepulsid 81098-60-4 Pridesia Alimix Forte Rapulid Benzamide, 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy-, cis- Tox21_110699 Cisaprida [Spanish] Cisawal DSSTox_CID_2825 DTXSID3022825 HMS3370F16 104860-73-3 MCULE-7144129340 4-amino-5-chloro-N-[1-{3-[(4-fluorophenyl)oxy]propyl}-3-(methyloxy)piperidin-4-yl]-2-(methyloxy)benzamide Presid Acenalin Propulsid Quicksolv BC204732 SCHEMBL16131 C06910 Unipride cid_5311047 Cisapride prodrug (oral, ECLYPS), ProCor Pharmaceuticals D00274 Esorid Kaudalit 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide NCGC00025262-02 4-amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl}-2-methoxybenzamide Prestwick2_000430 AKOS005710823 R 51619 Benzamide, 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxy-, cis- Syspride CCG-213491 cis-4-Amino-5-chloro-N-[1-[3-(p-fluorophenoxy)propyl]-3-methoxy-4-piperidyl]-o-anisamide Cisapridum [Latin] DCSUBABJRXZOMT-UHFFFAOYSA-N Guptro (.+/-.)-Cisapride L000938 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide Prepulsid (TN) AC-1912 Propulsid Alipride Risamal Benzamide,4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy- Tox21_110699_1 CHEMBL1729 Colinorm DSSTox_GSID_22825 [ Show all ]
Inchi Key	DCSUBABJRXZOMT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
PubChem CID	2769
ChEMBL	CHEMBL1729
IUPHAR	240
BindingDB	50005836
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	767.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	402.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	508.0 nM	PMID8632342	PDSP,BindingDB

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