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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	ciproxifan
Molecular formula	C16H18N2O2
IUPAC name	cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
Molecular weight	270.332
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.5
Synonyms	PDSP2_001264 AC1O4Y0P cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone FUB 359 LS-187638 MolPort-027-720-958 SC-26038 184025-18-1 AKOS030526676 Ciproxifan (FUB-359) D0I3XA GTPL1265 NCGC00165775-03 Y0363 4CA-0550 BRD-K01767299-001-01-6 cyclopropyl 4-(3-(1H-imidazol-4-yl)propyloxy)phenyl ketone EX-A077 L000187 Methanone, cyclopropyl(4-(3-(1H-imidazol-4-yl)propoxy)phenyl)- S-7718 (4-(3-(1H-imidazol-4-yl)propoxy)phenyl)(cyclopropyl)methanone ACQBHJXEAYTHCY-UHFFFAOYSA-N CHEMBL14638 cyclopropyl-[4-[3-(3H-imidazol-4-yl)propoxy]phenyl]methanone FUB-359 NCGC00165775-01 SCHEMBL3335184 BCP04109 Ciproxifan; FUB 359 DTXSID50171532 HY-14567 PDSP1_001280 ZINC1892860 5EVQ7IRG99 CHEBI:125467 cyclopropyl-(4-(3-1H-imidazol-4-yl)propyloxyphenyl)ketone FT-0707540 LS-186999 Methanone, cyclopropyl(4-(3-(1H-imidazol-5-yl)propoxy)phenyl)- SB19526 AKOS005266665 Cyclopropylpyrrol4-[3-(1H-imidazol-4-yl)propoxy] phenylmorphomethanone FUB359 NCGC00165775-02 UNII-5EVQ7IRG99 4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imidazole BDBM27213 CS-0664 EX-5964 KB-76104 [ Show all ]
Inchi Key	ACQBHJXEAYTHCY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
PubChem CID	6422124
ChEMBL	CHEMBL14638
IUPHAR	1265
BindingDB	27213
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<2511.89 nM	PMID24161834	ChEMBL
Ki	<2512.0 nM	PMID24161834	BindingDB
Ki	<10000.0 nM	PMID15608078, PMID26084539, PMID12606603, PMID18683917, PMID15033391	BindingDB,IUPHAR,ChEMBL

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