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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.
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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	orphenadrine
Molecular formula	C18H23NO
IUPAC name	N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
Molecular weight	269.388
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.8
Synonyms	Orphenadrine(INN) dimethyl{2-[(2-methylphenyl)phenylmethoxy]ethyl}amine Prestwick1_000239 Ethylamine, N,N-dimethyl-2-((o-methyl-.alpha.-phenylbenzyl)oxy)- SPBio_002238 KBio2_001525 LS-68148 Mialgin (TN) N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine Antiflex NCGC00015771-06 BPBio1_000349 NINDS_000853 BS-5930 Orfro CHEMBL900 Orphenate DivK1c_000853 QVYRGXJJSLMXQH-UHFFFAOYSA-N GTPL7251 Spectrum4_000460 KBio3_001641 Mefenamine 2-(Phenyl-o-tolylmethoxy)ethyldimethylamine Myotrol AB00053510-19 N,N-Dimethyl-2-[(o-methyl-.alpha.-phenylbenzyl)oxy]ethylamine BDBM50062614 NCGC00015771-10 BRN 1885151 o-Methyldiphenhydramine C07935 Orphenadinum Orphenadrine (INN) dimethyl-2[alpha-(o-tolyl)benzyloxy]ethylamine Phenyl-o-tolylmethyl dimethylaminoethyl ether Ethanamine, N,N-dimethyl-2-((2-methylphenyl)phenylmethoxy)- Sodium Mefenamine Invagesic ST50406606 L001253 Mephenamine (Salt/Mix) 4-06-00-04727 (Beilstein Handbook Reference) N,N-Dimethyl-2-(o-methyl-alpha-phenylbenzyl)oxy)ethylamine AC1L1IJ4 NCGC00015771-03 Biorphen NCGC00089814-03 Brocasipal (Salt/Mix) Orfenadrina CHEBI:7789 D08305 Orphenadrinum Disipal Prestwick2_000239 Ethylamine, N,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)- Spectrum2_001038 KBio2_004093 Lysantin Mio-Rel 83-98-7 N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine # API0000039 NCGC00015771-07 BRD-A53576514-003-03-1 Norflex Orphenadrine Citrate BSPBio_000317 ORP DB01173 Orphenedrine DTXSID3023396 SBI-0050859.P004 HSDB 3139 Spectrum5_001036 KBioGR_000880 Mephenamin (TN) 2-Methyldiphenhydramine N,N-Dimethyl-2-(alpha-2-tolylbenzoyloxy)ethylamin AB00053510_20 N,N-Dimethyl-2-[(o-methyl-alpha-phenylbenzyl)oxy]ethylamine beta-Dimethylaminoethyl 2-methylbenzhydryl ether NCGC00015771-12 Brocadisipal o-Monomethyldiphenhydramine CBDivE_006102 Orphenadrin Orphenadrine [INN:BAN] Dimethyl-[2-(phenyl-o-tolyl-methoxy)-ethyl]-amine Prestwick0_000239 Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]- SPBio_001255 KBio1_000853 WS 2434 Lopac0_000884 Methyldiphenylhydramine 4682-36-4 (citrate) N,N-dimethyl-2-(phenyl(o-tolyl)methoxy)ethanamine AKOS027379368 NCGC00015771-05 Biorphen (TN) NCGC00089814-05 Brocasipal (TN) Orfenadrina [INN-Spanish] D0D9FV Orphenadrinum [INN-Latin] Disipal (TN) Prestwick3_000239 Flexon (TN) Spectrum3_000531 KBio2_006661 MCULE-7320950210 .beta.-Dimethylaminoethyl 2-methylbenzhydryl ether Myolin AB00053510 N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine Banflex (TN) NCGC00015771-09 BRD-A53576514-048-06-9 Norgesic BSPBio_002141 Orphenadine dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine Phenyl-o-tolylmethyl dimethyaminoethyl ether EINECS 201-509-2 SCHEMBL28727 IDI1_000853 Spectrum_001045 KBioSS_001525 Mephenamine 341-69-5 (hydrochloride) N,N-dimethyl-2-(alpha-2-tolylbenzoyloxy)ethylamine AB00053510_21 N,N-dimethyl-2-{[(2-methylphenyl)(phenyl)methyl]oxy}ethanamine beta-Dimethylaminoethyl-2-methylbenzhydryl ether NCGC00089814-02 Brocasipal Oprea1_476547 CCG-204966 [ Show all ]
Inchi Key	QVYRGXJJSLMXQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
PubChem CID	4601
ChEMBL	CHEMBL900
IUPHAR	N/A
BindingDB	50062614
DrugBank	DB01173
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	162.18 nM	PMID22793499	BindingDB,ChEMBL

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