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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

Ligand

Name	quipazine
Molecular formula	C13H15N3
IUPAC name	2-piperazin-1-ylquinoline
Molecular weight	213.284
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.5
Synonyms	KBio2_004781 Lopac0_001019 130895-61-3 NCGC00015872-04 2-Piperazin-1-yl-quinoline piperazin-1-yl-quinoline Quipazina AB05466 SBB011283 AM20061242 Spectrum_001733 BPBio1_001393 VU0005330-3 CCG-205099 DTXSID3046952 KBioGR_001818 MCULE-2654170894 2-(1-piperazinyl)-quinoline NCGC00024694-02 2-Piperazin-1-ylquinoline Prestwick2_000617 AB00053761 Quipazine [INN] AC1Q1I54 SPBio_001223 AS-38262 TC-071714 BRD-K77925998-332-03-8 CHEMBL18772 GTPL173 L000958 1-(2-Quinolyl)piperazine NCGC00015872-02 2-(piperazin-1-yl)-quinoline Oprea1_342540 4WCY05C0SJ Quinoline, 2-(1-piperazinyl)- AB00053761_12 RP26765 AK-26012 Spectrum3_001824 Biomol-NT_000103 UNII-4WCY05C0SJ BSPBio_003467 DB-021505 KBio1_000911 KBio2_007349 LS-142110 NCGC00015872-06 2-Piperazin-1-yl-quinoline (Quipazine) Prestwick0_000617 5786-68-5 (maleate (1:1)) Quipazina [INN-Spanish] AC-22858 SBI-0050992.P003 AMOT0412 ST50232723 BRD-K77925998-001-01-3 XRXDAJYKGWNHTQ-UHFFFAOYSA-N CHEBI:93368 F3306-0004 KBioSS_002213 MolPort-000-006-267 2-(1-Piperazinyl)chinolin NCGC00024694-03 2-quinolylpiperazine Prestwick3_000617 AB00053761-06 Quipazinum AC1Q4WAV SPBio_002773 BAS 00505227 Tocris-0629 BRN 0196945 CTK4J0220 IDI1_000911 KBio2_002213 Lopac-Q-1004 1-(quinolin-2-yl)piperazine NCGC00015872-03 2-(piperazin-1-yl)quinoline P67440 5-23-03-00069 (Beilstein Handbook Reference) Quinoline,2-(1-piperazinyl)- AB0076939 S14-1965 AKOS000124312 Spectrum4_001259 BPBio1_000610 VQ10136 CAS-4774-24-7 DivK1c_000911 KBio3_002971 MA-1291 2-(1-PIPERAZINO)QUINOLINE NCGC00024694-01 2-Piperazin-1-yl-quinoline(Quipazine) Prestwick1_000617 774P247 AC1L1JEX SCHEMBL322181 ANW-66727 STL308727 BRD-K77925998-050-02-8 ZINC2020 FT-0635438 L-2584 1-(2-Quinolinyl)piperazine NCGC00015872-01 2-(1-Piperazinyl)quinoline NINDS_000911 4774-24-7 Q-103520 AB00053761_11 Quipazinum [INN-Latin] AJ-73031 Spectrum2_001182 BDBM50014407 TPC-A004 BSPBio_000554 D08BCF KB-25984 [ Show all ]
Inchi Key	XRXDAJYKGWNHTQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
PubChem CID	5011
ChEMBL	CHEMBL18772
IUPHAR	173
BindingDB	50014407
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	59.0 nM	PMID10611640	PDSP,BindingDB
Ki	125.893 nM	PMID15322733	IUPHAR
Ki	128.82 nM	PMID15322733	BindingDB
Ki	128.825 nM	PMID15322733	PDSP
Ki	309.03 nM	PMID10498829	PDSP
Ki	309.03 nM	PMID10498829	BindingDB
Ki	362.0 nM	PMID10611640	PDSP,BindingDB
Ki	2779.7 nM	Elliot & Kent, PMID1989	PDSP

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