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GPCR

Name	5-hydroxytryptamine receptor 1E
Species	Homo sapiens (Human)
Gene	HTR1E
Synonym	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled 5-HT1E_alpha 5-ht1e receptor 5-HT1E 5-HT-1E S31 Serotonin receptor 1E [ Show all ]
Disease	N/A
Length	365
Amino acid sequence	MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT
UniProt	P28566
Protein Data Bank	N/A
GPCR-HGmod model	P28566
3D structure model	This predicted structure model is from GPCR-EXP P28566.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2182
IUPHAR	4
DrugBank	BE0000476

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	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]- 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 SPBio_002443 BSPBio_003040 Trazalon CTK4E2359 Trazodone (INN) Desyrel Trialodine FT-0658382 KBio2_004472 LS-156735 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 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 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 Sideril BRN 0628010 Thombran (TN) Desirel Trazonil EC 243-317-1 ZINC538483 KBio1_000196 Lopac-T-6154 19794-93-5 NCGC00016035-01 NCGC00016035-09 AC-6778 Prestwick0_000292 BCP07176 Spectrum2_000854 C07156 Trazodil D00USF Trazodone [INN:BAN] Desyrel (TN) Trialodine (TN) GTPL213 KBio2_007040 M979 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) 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]- 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 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 NCGC00016035-02 NCGC00016035-10 AC1L1KK2 Prestwick1_000292 BDBM50073444 BG0346 Spectrum3_001560 C19H22ClN5O Trazodon D08626 Trazodonum Desyrel Dividose Trittico HSDB 7048 KBio3_002540 MCULE-8110542411 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)- [ 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
Ki	<10000.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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