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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	loratadine
Molecular formula	C22H23ClN2O2
IUPAC name	ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
Molecular weight	382.888
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.2
Synonyms	Pylor Lorantis Roletra (TN) loratadine impurity c;4-(4,8-dichloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester Sch29851 Loratadine, Pharmaceutical Secondary Standard; Certified Reference Material Spectrum2_001584 Loraver SR-01000075968-4 MCULE-5073177964 Tidilor (TN) NCGC00015619-01 UNII-7AJO3BO7QN NCGC00015619-09 NCGC00023125-06 NSC721075 Lisino Clarityne Dy Repetabs D06ABF AB00053224-16 DTXSID2023224 ACT04775 ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate Alavert, Claritin, Loratadine FT-0627976 BBL010757 HMS3268M16 Bonalerg HY-17043 CHEBI:6538 KBio2_007112 Claratyne Decongestant Claritin reditab 11-[N-(ethoxycarbonyl)-4-piperidylidene]-8-chloro-6,11-dihydro-5H-benzo-[5,6]cyclohepta[1,2-b]pyridine Restamine Loratadina [Spanish] Sanelor Loratadine [USAN:BAN:INN] Sinhistan Dy Loratadine-d4 Spectrum5_001650 Loritine STK574925 MLS000758260 Topcare childrens allergy relief NCGC00015619-04 Wyeth Brand of Loratadine NCGC00015619-12 NCGC00261365-01 L000667 Opera_ID_1868 Lopac0_000680 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cycloheptal[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester CPD000058255 7AJO3BO7QN DivK1c_000792 AB0012486 ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate AK-88666 FC1275 AllergyX (TN) HMS2051G11 BCP9000858 HMS3654L17 BSPBio_002300 J10034 Children's Claritin KBioSS_001976 Claritin 1-Piperidenecarboxylic acid, 4-(8-chloro-5,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester Claritine (TN) Loradif Rinomex Loratadine 0.1 mg/ml in Methanol Sch 29851 Loratadine, British Pharmacopoeia (BP) Reference Standard SPBio_001548 Loratidine SR-01000075968-1 LS-114660 Tadine MolPort-002-507-846 Tox21_301532 NCGC00015619-07 Zeos NCGC00023125-04 NSC-721075 Lertamine Pharmakon1600-01503712 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acidethyl ester CTK8G0633 8-Chloro-6,11-dihydro-11-(1-ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine DSSTox_GSID_23224 AC-2086 ethyl 4-(8-chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-ylidene)piperidine-1-carboxylate Alavert Fristamin Anhissen HMS2235G23 BIDD:GT0198 HSDB 3578 CCG-100786 KBio2_001976 Claratyne Claritin Hives Relief 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester Clarityne Q-100833 Lorastine s1358 Loratadine Redidose SCHEMBL4596 Loratadine, United States Pharmacopeia (USP) Reference Standard Spectrum3_000740 Lorfast SR-01000075968-6 MFCD00672869 TL8005389 NCGC00015619-02 Velodan NCGC00015619-10 NCGC00023125-07 KS-1079 NSC758628 Lomilan (TN) Clarityne-D 794L755 AB00053224_17 Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylate Aerotina ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate Alavert;Claritin GTPL7216 BCP0726000007 HMS3371D13 BRD-K82795137-001-02-3 I14-0747 KBio3_001520 Clarinase Claritin Reditabs Loracert Rhinase SBI-0050659.P003 Loratadine [USAN:USP:INN:BAN] SMR000058255 Loratadinum Spectrum_001496 Lowadina SW197416-3 MLS001148466 Tox21_110185 NCGC00015619-05 Z1741979837 NCGC00015619-13 NCI60_041473 L0223 Oprea1_027965 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester Cronopen 8-chloro-11-(1-ethoxycarbonyl-4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine DL-436 AB06849 Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidine)-1-piperidinecarboxylate AKOS005499513 Flonidan Allertidin HMS2090O18 BDBM22876 HMS3714E09 C22H23ClN2O2 JCCNYMKQOSZNPW-UHFFFAOYSA-N Civeran Klaritin Claritin (TN) 1-Piperidenecarboxylic acid,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester Clarityn Loranox Roletra Loratadine for system suitability, European Pharmacopoeia (EP) Reference Standard Sch-29851 Loratadine, European Pharmacopoeia (EP) Reference Standard SPECTRUM1503712 Loratyne SR-01000075968-3 M-5196 Talorat Dy NC00036 Tox21_500680 NCGC00015619-08 ZINC537931 NCGC00023125-05 NSC-758628 Lesidas Polaratyne Clarityne (TN) 4-(8-chloro-5,6-dihydrobenzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester D00364 AB00053224-15 DSSTox_RID_76931 AC1L1H3E ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0(3),]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidine-1-carboxylate Alavert (TN) Fristamin (TN) Bactimicina allergy HMS3262G21 Biloina HTS028367 CCG-39362 KBio2_004544 Claratyne Cold Claritin Hives Relief Reditab 1-piperidinecarboxylic acid,4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-,ethyl ester REGID_for_CID_3957 Loratadina SAM001246987 Loratadine Wyeth Brand Sensibit Loratadine,(S) Spectrum4_000177 Lorfast (TN) ST2413201 MLS000069647 Tocris-1944 NCGC00015619-03 Versal NCGC00015619-11 NCGC00255171-01 L 9664 Nularef Lopac-L-9664 Clarium 79794-75-5 DB00455 AB00053224_18 Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate AJ-23376 EU-0100680 Alerpriv Histaloran BCP22338 HMS3393G11 BRD-K82795137-001-10-6 IDI1_000792 CHEMBL998 KBioGR_000693 Clarinase Reperabs Claritine 4-(8-Chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester Loradex Rinolan (TN) Loratadine (JAN/USAN/INN) SC-13436 Loratadine, >=98% (HPLC), powder Sohotin Loratadinum [Latin] SR-01000075968 LP00680 Symphoral (TN) MLS001423984 Tox21_110185_1 NCGC00015619-06 ZB014352 NCGC00023125-02 NINDS_000792 Lergy Optimin 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester CS-0887 8-chloro-6,11-dihydro-11-(1- ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine DSSTox_CID_3224 AB2000066 ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate Alarin Flonidan (TN) AN-14336 HMS2093I15 Bedix Loratadina HMS502H14 CAS-79794-75-5 KBio1_000792 CL0028 KS-00000JOZ Claritin D 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester Clarityn (TN) [ Show all ]
Inchi Key	JCCNYMKQOSZNPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
PubChem CID	3957
ChEMBL	CHEMBL998
IUPHAR	7216
BindingDB	22876
DrugBank	DB00455
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	170.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	290.0 nM	PMID16220969	BindingDB,ChEMBL
IC50	1500000.0 nM	, None	BindingDB,ChEMBL
Ki	20.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	37.0 nM	PMID15771458	BindingDB,IUPHAR,ChEMBL
Ki	311.0 nM	PMID25318072	BindingDB,ChEMBL
Ki	414.0 nM	PMID15482930	BindingDB,ChEMBL

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