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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	cetirizine
Molecular formula	C21H25ClN2O3
IUPAC name	2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
Molecular weight	388.892
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.7
Synonyms	[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid Cetrizine Hcl D07662 (2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid GTPL1222 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazino}ethoxy)acetic acid I06-0454 24161-EP2295409A1 NCGC00167781-01 A10107 Prestwick3_000503 AKOS021729457 SC-19204 Benaday U095 C21H25ClN2O3 Zyrlex Cetirizine (INN) DB00341 110271-EP2284166A1 HMS3259D06 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid LS-11409 24161-EP2311827A1 NCGC00167781-04 AC1L1E7T SAM002548972 AN-15756 Setir BRD-A42571354-300-07-0 Z1182332250 Cetiderm (TN) Zyrtec-D CetirizineHydrochloride Cetrizide CS-0886 (2-(4-((4-Chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)acetic acid FT-0603001 2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid HSDB 7739 24161-EP2272832A1 MolPort-002-506-309 83881-51-0 Prestwick1_000503 Acetic acid, [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]- SC-17992 BCP28477 STK711108 C-5854 Zirtek Cetirizina [Spanish] [2-[4-[(4-chlorophenyl)phenylmethyl] 1-piperazinyl]-ethoxy] acetic acid Cetryn D0DK8V (2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid (2HCl) Hitrizin Film Tablet 2-(2-{4-[(4-chlorophenyl)phenylmethyl]piperazinyl}ethoxy)acetic acid J-005737 24161-EP2301933A1 NCGC00167781-02 AB0019096 Reactine (TN) Alerlisin SC-19390 BPBio1_000469 Virlix CC0153 Zyrtec (TN) CETIRIZINE HYDROCHLORIDE Cetirizinum CHEMBL1000 DTXSID4022787 110271-EP2298415A1 HMS3370I19 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid MCULE-8668839822 24161-EP2314590A1 NCGC00167781-07 AC1Q768B SAM002589989 BBL009968 SPBio_002346 BSPBio_000425 Zerviate Cetirizin [(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethyl)oxy]acetic acid Cetrizine Dihcl CTK7J5576 (2-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-ethoxy)-acetic acid FT-0654660 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid HY-17042 24161-EP2281815A1 NC00696 83881-52-1 (di-hydrochloride) Prestwick2_000503 AKOS003589059 SC-18167 BDBM22890 TimTec1_002075 C07778 ZKLPARSLTMPFCP-UHFFFAOYSA-N [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]-ethoxy]acetic acid CHEBI:3561 HMS1539O07 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid L000655 24161-EP2305640A2 NCGC00167781-03 AC-5545 RT-007014 AN-10906 SCHEMBL4176 BRD-A42571354-300-05-4 Xarlin Cetiderm Zyrtec Syrup Cetirizine [INN:BAN] Cetirizinum [Latin] CPD001453715 EN300-52521 HMS3393N10 MFCD00800721 81C510 Prestwick0_000503 Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)- SBI-0206838.P001 BCP08787 ST024755 BSPBio_002302 Ziptek Cetirizina [2-[4-[(4-Chlorophenyl)-phenyl methyl]-1-piperazinyl] ethoxy] acetic acid [ Show all ]
Inchi Key	ZKLPARSLTMPFCP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)
PubChem CID	2678
ChEMBL	CHEMBL1000
IUPHAR	1222
BindingDB	22890
DrugBank	DB00341
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
Ki	3.16 nM	PMID11809864	BindingDB
Ki	3.16228 nM	PMID11809864	PDSP
Ki	5.89 nM	PMID15686917	BindingDB,ChEMBL
Ki	6.3 nM	PMID8903934, PMID7925364	PDSP
Ki	6.30957 nM	PMID11809864	PDSP
Ki	6.30958 nM	PMID7925364	IUPHAR
Ki	14.0 nM	PMID15081022, PMID15482930, PMID16220969	BindingDB,ChEMBL
Ki	50.0 nM	PMID15771458	BindingDB
Ki	50.12 nM	PMID16408006	BindingDB,ChEMBL

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