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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	Fla-797
Molecular formula	C15H21BrN2O3
IUPAC name	3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
Molecular weight	357.248
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.3
Synonyms	3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide AC1L3SPF BDBM50007534 SCHEMBL9549978 3-Bromo-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-2-hydroxy-6-methoxybenzamide CHEMBL283099 (-)-(s)-3-bromo-N-[-(1-ethyl-2-pyrrolidinyl)-methyl]-2-hydroxy-6-methoxybenzamide 84226-14-2 KB-287343 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide AC1Q2695 Benzamide, 3-bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (S)- ZINC28255344 3-bromo-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-hydroxy-6-methoxybenzamide Fla 797 3-Bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxybenzamide A 35043 AKOS030580413 PDSP2_000912 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide [ Show all ]
Inchi Key	PWEZBNRZEHPIIQ-JTQLQIEISA-N
Inchi ID	InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
PubChem CID	94688
ChEMBL	CHEMBL283099
IUPHAR	N/A
BindingDB	50007534
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	PMID2869639	BindingDB

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