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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	clobenpropit
Molecular formula	C14H17ClN4S
IUPAC name	3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate
Molecular weight	308.828
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	PDSP1_000537 SMR000469632 145231-45-4 AC1L1EH2 Carbamimidothioic acid, ((4-chlorophenyl)methyl)-, 3-(1H-imidazol-4-yl)propyl ester D0T8OD LS-173240 N''''-[(4-chlorophenyl)methyl]{[3-(1H-imidazol-5-yl)propyl]sulfanyl}methanimidamide S-(3-(4(5)-Imidazolyl))propyl-N-(4-chlorobenzyl)isothiourea Vuf 9153 3-(1H-imidazol-4-yl)propyl 4-chlorobenzylcarbamimidothioate BDBM22541 CHEBI:64177 HMS2052B07 NCGC00024770-01 SCHEMBL49050 ZINC1538319 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate C14H17ClN4S L000192 MLS001424295 PDSP2_000535 Tocris-0752 AC1Q3NI0 Carbamimidothioic acid,N-[(4-chlorophenyl)methyl]-, 3-(1H-imidazol-5-yl)propyl ester DTXSID3043738 N'-[(4-chlorophenyl)methyl]-1-[3-(3H-imidazol-4-yl)propylsulfanyl]methanimidamide SAM001247107 Vuf-9153 3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate BDBM50214615 HMS3394B07 NCGC00024770-02 SCHEMBL8312286 C17934 CPD000469632 L010032 MolPort-009-019-361 RKU631JF4H UNII-RKU631JF4H 3-(1H-imidazol-4-yl)propyl ((4-chlorophenyl)methyl)carbamimidothioate AKOS025405026 CCG-101167 GTPL1223 NC00417 SCHEMBL19733457 VUF9153 3-(1h-imidazol-5-yl)propyl n'-(4-chlorobenzyl)carbamimidothioate BRD-K71430621-303-01-5 CHEMBL14690 KS-0000002Y [ Show all ]
Inchi Key	UCAIEVHKDLMIFL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
PubChem CID	2790
ChEMBL	CHEMBL14690
IUPHAR	1223
BindingDB	22541, 50214615
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	PMID12606603	IUPHAR
Ki	2754.23 nM	PMID12606603	PDSP
Ki	2754.23 nM	PMID12606603	BindingDB

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