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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 1D
Species	Rattus norvegicus (Rat)
Gene	Htr1d
Synonym	5-HT1D receptor HTRL Htr1db HT1DA Gpcr14 5-HT-1D 5-HT1D 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled 5-HT1Dalpha Serotonin receptor 1D [ Show all ]
Disease	N/A for non-human GPCRs
Length	374
Amino acid sequence	MSLPNQSLEGLPQEASNRSLNATGAWDPEVLQALRISLVVVLSIITLATVLSNAFVLTTILLTKKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAAVWAISICISIPPLFWRQATAHEEMSDCLVNTSQISYTIYSTCGAFYIPSILLIILYGRIYVAARSRILNPPSLYGKRFTTAQLITGSAGSSLCSLNPSLHESHTHTVGSPLFFNQVKIKLADSILERKRISAARERKATKTLGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPVIYTVFNEDFRQAFQRVVHFRKAS
UniProt	P28565
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5450
IUPHAR	3
DrugBank	N/A

Ligand

Name	VORTIOXETINE
Molecular formula	C18H22N2S
IUPAC name	1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
Molecular weight	298.448
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.2
Synonyms	1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine 508233-74-7 AX8224799 CS-1471 HSDB 8250 PIP107 Trintellix vortioxetinum 1-[2-[(2,4-Dimethylphenyl)thio]phenyl]piperazine A3926 Brintellix (TN) DA-42264 KS-0000062Y SB16506 ZINC34051848 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)PIPERAZINE HYDROCHLRIDE 4CH-016292 AKOS016008748 CHEMBL2104993 GG-0052 Lu AA21004 ST2408515 Vortioxetine [USAN:INN] 1-[2-(2,4-Dimethylphenylsulfanyl)-phenyl]piperazine 7034AB BCP05996 D03WEX HY-15414 Piperazine, 1-(2-((2,4-dimethylphenyl)thio)phenyl)- UNII-3O2K1S3WQV W-5909 1-(2-((2,4-Dimethylphenyl)sulfanyl)phenyl}piperazine 1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine AC-27648 CCG-229998 Lu AA 21004 pound>>LuAA21004 pound>> Lu-AA21004 pound>> Lu AA21004 pound>> AA21004 SC-53652 Vortioxetine (Lu AA21004) 1-[2-(2,4-dimethyl-phenylsulfanyl)-phenyl]-piperazine API0019472 CHEMBL2204360 GTPL7351 MolPort-023-298-791 STL483777 Vortioxetine, Lu AA21004 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine BDBM50400902 D10184 KB-81458 Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]- vortioxetina YQNWZWMKLDQSAC-UHFFFAOYSA-N 1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine 3O2K1S3WQV AJ-86685 CHEBI:76016 FT-0686961 Lu AA 21004\|\|\|1-[2-[(2,4-dimethylphenyl)thio]phenyl]-piperazine SCHEMBL236115 Vortioxetine (USAN) [ Show all ]
Inchi Key	YQNWZWMKLDQSAC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
PubChem CID	9966051
ChEMBL	N/A
IUPHAR	7351
BindingDB	50400902
DrugBank	DB09068
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4000.0 nM	PMID15341484	IUPHAR

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