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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	adiphenine
Molecular formula	C20H25NO2
IUPAC name	2-(diethylamino)ethyl 2,2-diphenylacetate
Molecular weight	311.425
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.2
Synonyms	STK178819 AKOS003656896 Vegantine BPBio1_000319 CHEBI:94680 Diphenylacetic acid 2-(diethylamino)ethyl ester EINECS 200-599-0 KBio2_001796 MolPort-002-579-049 2-(diethylamino)ethyl 2,2-diphenylacetate Prestwick0_000075 64-95-9 SPBio_001593 Adifenina Trasentin Benzeneacetic acid, .alpha.-phenyl-, 2-(diethylamino)ethyl ester YKG6OR043Q BRN 1887268 CTK5C1933 Diphenylacetyldiethylaminoethanol Ethanol, 2-(diethylamino)-, 2,2-diphenylacetate KBio3_002048 NCGC00016221-03 2-Diethylaminoethyl diphenylacetate Prestwick3_000075 AB00053636_14 Spectrum3_000954 Spectrum_001316 Adipheninum Trazentyna [Polish] Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, CBDivE_011564 Diphacyl DivK1c_000221 JGOAIQNSOGZNBX-UHFFFAOYSA-N LS-11886 NSC129224 4-09-00-02497 (Beilstein Handbook Reference) SKF 962A Acetic acid, diphenyl-, 2-(diethylamino)ester Transentine alpha-Phenylbenzeneacetic acid 2-[diethylamino]ethyl ester Wegantyna BRD-K60907894-003-04-5 Diphenylacetic acid diethylaminoethyl ester Ester dwuetyloaminoetylowy kwasu dwufenylooctowego KBio2_004364 NCGC00016221-01 2-(Diethylamino)ethyl diphenylacetate Prestwick1_000075 AB00053636 SPBio_002210 Adifenina [INN-Spanish] Adiphenine chloride (Salt/Mix) Trasentine Benzeneacetic acid, a-phenyl-, 2-(diethylamino)ethylester ZINC1717372 BSPBio_000289 Difacil Diphenylacetyldiethylaminoethyl HSDB 3282 KBioGR_001394 NCGC00016221-04 2-Diethylaminoethylester kyseliny difenyloctove SBI-0051763.P002 AC1L1CRU Spectrum4_001067 ST50995221 Adipheninum [INN-Latin] UNII-YKG6OR043Q Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, (9CI) CBDivE_014652 Diphenylacetate du diethylamino-ethanol DTXSID0022561 KBio1_000221 MCULE-6767246073 2,2-diphenylacetic acid 2-(diethylamino)ethyl ester Patrovine Spasmolytin Acetic acid, diphenyl-, 2-(diethylamino)ethyl ester Tranzetil BDBM50395519 Wegantyna [Polish] BRD-K60907894-003-14-4 CHEMBL353846 Diphenylacetic acid, 2-(diethylamino)ethyl ester Ester dwuetyloaminoetylowy kwasu dwufenylooctowego [Polish] KBio2_006932 NCGC00016221-02 2-diethylaminoethyl 2,2-diphenylacetate Prestwick2_000075 AB00053636_13 Spectrum2_001517 Adiphenin Adiphenine [INN] Trazentyna Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester CAS-50-42-0 Diphacil Diphenylessigsaeure-beta-diethylaminoethylester IDI1_000221 KBioSS_001796 NINDS_000221 2-Diethylaminoethylester kyseliny difenyloctove [Czech] SCHEMBL248213 AC1Q67SO Spectrum5_001260 [ Show all ]
Inchi Key	JGOAIQNSOGZNBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
PubChem CID	2031
ChEMBL	CHEMBL353846
IUPHAR	N/A
BindingDB	50395519
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	16982.4 nM	PMID22793499	BindingDB,ChEMBL

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