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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	trazodone
Molecular formula	C19H22ClN5O
IUPAC name	2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight	371.869
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.8
Synonyms	NCGC00016035-02 NCGC00016035-10 AC1L1KK2 Prestwick1_000292 BDBM50073444 SPBio_000867 BSPBio_000224 Tradozone CHEMBL621 trazodone (Desyrel) Desirel (TN) Trazorel (TN) EINECS 243-317-1 KBio2_001904 Lopac0_001159 2-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one NCGC00016035-05 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,8,9-triazabicyclo[4.3.0]nona-2,4,9-trien-7-one NINDS_000196 AN-9679 s-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(m-chlorophenyl)-1-piperazinyl)propyl)- BG0346 Spectrum3_001560 C19H22ClN5O Trazodon D08626 Trazodonum Desyrel Dividose Trittico HSDB 7048 KBio3_002540 MCULE-8110542411 MolPort-003-850-601 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one NCGC00016035-08 AB00053648_16 PHLBKPHSAVXXEF-UHFFFAOYSA-N BC209162 SCHEMBL28167 BRD-K70778732-003-15-0 Spectrum_001424 CHEBI:9654 Trazodona [Spanish] Deprax (TN) Trazolan DTXSID5045043 YBK48BXK30 IDI1_000196 L000771 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one,2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]- 2-(3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one NCGC00016035-03 794T935 NCGC00016035-12 AJ-23398 Prestwick2_000292 Beneficat SPBio_002443 BSPBio_003040 Trazalon CTK4E2359 Trazodone (INN) Desyrel Trialodine FT-0658382 KBio2_004472 LS-156735 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,5-a]pyridin-3-one NCGC00016035-06 AB00053648-14 Oleptro API0000873 SBI-0051126.P003 BPBio1_000248 Spectrum4_000755 CAS-25332-39-2 Trazodona Trazodonum [INN-Latin] Desyrel(trazodone hcl salt) Trittico (TN) I06-1977 KBioGR_001110 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)- Molipaxin NCGC00016035-01 NCGC00016035-09 AC-6778 Prestwick0_000292 BCP07176 Sideril BRN 0628010 Thombran (TN) Desirel Trazonil EC 243-317-1 ZINC538483 KBio1_000196 Lopac-T-6154 19794-93-5 2-(3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one # NCGC00016035-04 8-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-1,7,8-triazabicyclo[4.3.0]nona-2,4,6-trien-9-one hydrochloride NCGC00024405-03 AKOS015896423 Prestwick3_000292 Beneficat (TN) Spectrum2_000854 C07156 Trazodil D00USF Trazodone [INN:BAN] Desyrel (TN) Trialodine (TN) GTPL213 KBio2_007040 M979 Molipaxin (TN) 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one NCGC00016035-07 AB00053648_15 Oprea1_185901 AX8215176 SC-77266 BRD-K70778732-003-05-1 Spectrum5_000974 CCG-205233 Trazodona [INN-Spanish] DB00656 Trazodonum [Latin] DivK1c_000196 UNII-YBK48BXK30 I14-31859 KBioSS_001904 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]- [ Show all ]
Inchi Key	PHLBKPHSAVXXEF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
PubChem CID	5533
ChEMBL	CHEMBL621
IUPHAR	213
BindingDB	50073444
DrugBank	DB00656
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	20.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	5.602 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	27.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	39.8107 nM	PMID15322733	IUPHAR
Ki	44.6684 nM	PMID15322733	PDSP
Ki	44.67 nM	PMID15322733	BindingDB

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