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GPCR

Name	Histamine H1 receptor
Species	Homo sapiens (Human)
Gene	HRH1
Synonym	HH1R H1R Hisr H1 receptor
Disease	Vertigo's disease; Meniere's disease Ocular allergy Obesity Nausea; Vomiting Insomnia; Anxiety disorder Insomnia Hypersensitivity reactions; Coughs; Common colds Pain Parkinson's disease Perennial and seasonal allergic rhinitis; Vasomotor rhinitis; Allergic conjunctivitis Vertigo meniere's disease Unspecified Sleep disorders Seasonal and perennial allergic rhinitis and vasomotor rhinitis Rhinitis; Urticaria; Allergy Rhinitis Respiratory disease Respiratory allergies; Cancer Respiratory allergies; Allergic rhinitis Pruritus Nasal congestion Hay fever; Cough Hay fever; Allergic rhinitis Anxiety disorder Anesthesia Allergy Allergic skin disorders Allergic rhinitis; Urticaria; Pruritus Allergic rhinitis; Urticaria Allergic rhinitis Allergic disorders; Itching; Nausea Allergic conjunctivitis Anxiety disorder; Morning sickness Asthma Hay fever Common cold; Allergies Depression Dry cough [ Show all ]
Length	487
Amino acid sequence	MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
UniProt	P35367
Protein Data Bank	3rze
GPCR-HGmod model	P35367
3D structure model	This structure is from PDB ID 3rze.
BioLiP	BL0202178, BL0202179, BL0202180
Therapeutic Target Database	T77913
ChEMBL	CHEMBL231
IUPHAR	262
DrugBank	BE0000442

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	3O2K1S3WQV AJ-86685 CHEBI:76016 FT-0686961 Lu AA 21004\|\|\|1-[2-[(2,4-dimethylphenyl)thio]phenyl]-piperazine SCHEMBL236115 Vortioxetine (USAN) 1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine 508233-74-7 AX8224799 CS-1471 HSDB 8250 PIP107 Trintellix vortioxetinum 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine 1-[2-[(2,4-Dimethylphenyl)thio]phenyl]piperazine A3926 Brintellix (TN) DA-42264 KS-0000062Y SB16506 ZINC34051848 4CH-016292 AKOS016008748 CHEMBL2104993 GG-0052 Lu AA21004 ST2408515 Vortioxetine [USAN:INN] 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)PIPERAZINE HYDROCHLRIDE 7034AB BCP05996 D03WEX HY-15414 Piperazine, 1-(2-((2,4-dimethylphenyl)thio)phenyl)- UNII-3O2K1S3WQV W-5909 1-[2-(2,4-Dimethylphenylsulfanyl)-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-Dimethylphenyl)sulfanyl)phenyl}piperazine API0019472 CHEMBL2204360 GTPL7351 MolPort-023-298-791 STL483777 Vortioxetine, Lu AA21004 1-[2-(2,4-dimethyl-phenylsulfanyl)-phenyl]-piperazine 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine BDBM50400902 D10184 KB-81458 Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]- vortioxetina YQNWZWMKLDQSAC-UHFFFAOYSA-N [ 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
Ki	180.0 nM	PMID21486038	BindingDB

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