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GLASS

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GPCR

Name	Histamine H1 receptor
Species	Homo sapiens (Human)
Gene	HRH1
Synonym	HH1R H1R Hisr H1 receptor
Disease	Vertigo's disease; Meniere's disease Ocular allergy Obesity Nausea; Vomiting Insomnia; Anxiety disorder Insomnia Hypersensitivity reactions; Coughs; Common colds Pain Parkinson's disease Perennial and seasonal allergic rhinitis; Vasomotor rhinitis; Allergic conjunctivitis Vertigo meniere's disease Unspecified Sleep disorders Seasonal and perennial allergic rhinitis and vasomotor rhinitis Rhinitis; Urticaria; Allergy Rhinitis Respiratory disease Respiratory allergies; Cancer Respiratory allergies; Allergic rhinitis Pruritus Nasal congestion Hay fever; Cough Hay fever; Allergic rhinitis Anxiety disorder Anesthesia Allergy Allergic skin disorders Allergic rhinitis; Urticaria; Pruritus Allergic rhinitis; Urticaria Allergic rhinitis Allergic disorders; Itching; Nausea Allergic conjunctivitis Anxiety disorder; Morning sickness Asthma Hay fever Common cold; Allergies Depression Dry cough [ Show all ]
Length	487
Amino acid sequence	MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
UniProt	P35367
Protein Data Bank	3rze
GPCR-HGmod model	P35367
3D structure model	This structure is from PDB ID 3rze.
BioLiP	BL0202178, BL0202179, BL0202180
Therapeutic Target Database	T77913
ChEMBL	CHEMBL231
IUPHAR	262
DrugBank	BE0000442

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	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 Spectrum_001316 Adipheninum Trazentyna [Polish] Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, Diphenylacetic acid diethylaminoethyl ester Ester dwuetyloaminoetylowy kwasu dwufenylooctowego KBio2_004364 NCGC00016221-01 2-(Diethylamino)ethyl diphenylacetate Prestwick1_000075 AB00053636 SPBio_002210 Adifenina [INN-Spanish] Transentine alpha-Phenylbenzeneacetic acid 2-[diethylamino]ethyl ester Wegantyna BRD-K60907894-003-04-5 Difacil Diphenylacetyldiethylaminoethyl HSDB 3282 KBioGR_001394 NCGC00016221-04 2-Diethylaminoethylester kyseliny difenyloctove SBI-0051763.P002 AC1L1CRU Spectrum4_001067 Adiphenine chloride (Salt/Mix) Trasentine Benzeneacetic acid, a-phenyl-, 2-(diethylamino)ethylester ZINC1717372 BSPBio_000289 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 ST50995221 Adipheninum [INN-Latin] UNII-YKG6OR043Q Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, (9CI) 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 Tranzetil BDBM50395519 Wegantyna [Polish] BRD-K60907894-003-14-4 CAS-50-42-0 Diphacil Diphenylessigsaeure-beta-diethylaminoethylester IDI1_000221 KBioSS_001796 NINDS_000221 2-Diethylaminoethylester kyseliny difenyloctove [Czech] SCHEMBL248213 AC1Q67SO Spectrum5_001260 Adiphenine [INN] Trazentyna Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester 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 STK178819 AKOS003656896 Vegantine BPBio1_000319 CTK5C1933 Diphenylacetyldiethylaminoethanol Ethanol, 2-(diethylamino)-, 2,2-diphenylacetate KBio3_002048 NCGC00016221-03 2-Diethylaminoethyl diphenylacetate Prestwick3_000075 AB00053636_14 Spectrum3_000954 Trasentin Benzeneacetic acid, .alpha.-phenyl-, 2-(diethylamino)ethyl ester YKG6OR043Q BRN 1887268 [ 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	112202.0 nM	PMID22793499	BindingDB,ChEMBL

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