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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	Mus musculus (Mouse)
Gene	Hrh1
Synonym	H1 receptor H1R HH1R Hisr
Disease	N/A for non-human GPCRs
Length	488
Amino acid sequence	MSLPNTSSASEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFLSFLWVIPILGWHHFTPLAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPTFLEIKLRSEDAKEGAKKPGKESPWGVQKRPSRDPTGGLDQKSTSEDPKVTSPTVFSQEGERETVTRPCFRLDVMQTQPVPEGDARGSKANDQTLSQPKMDEQSLSTCRRISETSEDQTLVDRQSFSRTTDSDTSIEPGLGKVKARSRSNSGLDYIKVTWKRLRSHSRQYVSGLHLNRERKAAKQLGCIMAAFILCWIPYFIFFMVIAFCNSCCSEPVHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProt	P70174
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	CHEMBL4322
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL222139
Molecular formula	C27H27FN2O3S
IUPAC name	5-[[4-[6-fluoro-1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid
Molecular weight	478.582
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.7
Synonyms	5-[4-(6-fluoro-1-thiophen-2-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-2-methoxy-benzoic acid BDBM50156866 PNWBYHPBHNVEKU-UHFFFAOYSA-N 5-[4-(6-fluoro-1-thiophen-2-ylmethyl-1H-indol-3-yl)piperidin-1-ylmethyl]-2-methoxybenzoic acid SCHEMBL5350986
Inchi Key	PNWBYHPBHNVEKU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H27FN2O3S/c1-33-26-7-4-18(13-23(26)27(31)32)15-29-10-8-19(9-11-29)24-17-30(16-21-3-2-12-34-21)25-14-20(28)5-6-22(24)25/h2-7,12-14,17,19H,8-11,15-16H2,1H3,(H,31,32)
PubChem CID	10162727
ChEMBL	CHEMBL222139
IUPHAR	N/A
BindingDB	50156866
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
ED50	29.0 mg.kg-1	PMID15566302	ChEMBL

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