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GLASS

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

Name	Histamine H1 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh1
Synonym	H1 receptor H1R HH1R Hisr
Disease	N/A for non-human GPCRs
Length	486
Amino acid sequence	MSFANTSSTFEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVHSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFFSFLWVIPILGWHHFMPPAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPSFSELKLRSDDTKEGAKKPGRESPWGVLKRPSRDPSVGLDQKSTSEDPKMTSPTVFSQEGERETRPCFRLDIMQKQSVAEGDVRGSKANDQALSQPKMDEQSLNTCRRISETSEDQTLVDQQSFSRTTDSDTSIEPGPGRVKSRSGSNSGLDYIKITWKRLRSHSRQYVSGLHLNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKSCCSEPMHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProt	P31390
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	CHEMBL4701
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	scopolamine
Molecular formula	C17H21NO4
IUPAC name	(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate
Molecular weight	303.358
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	0.9
Synonyms	9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate Atroscin BRD-A14566392-004-03-5 Hyoscine bromide L001096 Oscine Scopolaminium bromide Transcop 3-Oxa-9-azatricyclo(3.3.1.O(2,4))nonan-7-ol, 9-methyl-, tropate AC1L1JSC BDBM50015720 CHEMBL13030 Hysco MLS006012038 Scopoderm-TTS Skopolamin Tropic acid, 9-methyl-3-oxa-9-azatricyclo(3.3.1.O(2,4))non-7-yl ester (-)-Scopolamine 6-.beta.,7-.beta.-Epoxy-3-.alpha.-tropanyl S-(-)-tropate 9-Methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-ol (-)-tropate AKOS016038549 Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]- Hydroscine hydrobromide l-Hyoscine hydrobromide NCGC00162334-01 Scopolamine Hyoscine STL377948 9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate Atroscine Hydrobromide C3427 Hyoscyine hydrobromide LS-144660 SCHEMBL16227 Scopolammonium bromide Transderm-V (+)-Hyoscine AC1Q60XM Beldavrin ChEMBL_11434 Isoscopil MolPort-002-052-054 SMR001307730 Tropic acid, ester with scopine (hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.02,4]non-7-yl ester 6.beta.,7.beta.-Epoxy-1.alpha.H,5.alpha.H-tropan-3.alpha.-ol (-)-tropate (ester) 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 3-hydroxy-2-phenylpropanoate AN-13005 Benzotropine3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.02,4]non-7-yl ester Hyocine F hydrobromide l-Scopolamine NSC61806 Scopolaminhydrobromid Tranaxine 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 6.beta.,7.beta.-epoxy-, (-)-tropate (ester) AB00826823-11 BBL033894 CHEBI:91541 Hyosol MCULE-1606329466 Scopamin SEE Triptone (+)-Scopolamine 51-34-3 81D34684-E0B2-4B3A-A36C-FB916BBC90F7 AKOS001581155 Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (.alpha.S)- Euscopol Kwells NCGC00015932-03 SCOPOLAMINE BROMIDE STECJAGHUSJQJN-UHFFFAOYSA-N (S)-(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate [ Show all ]
Inchi Key	STECJAGHUSJQJN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
PubChem CID	5184
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50015720
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	<10000.0 nM	PMID282646	BindingDB

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