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GLASS

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GPCR

Name	Platelet-activating factor receptor
Species	Homo sapiens (Human)
Gene	PTAFR
Synonym	PAFr PAF-R PAF receptor AGEPC receptor
Disease	Nerve injury Ocular allergy Pain Unspecified Psoriasis Septic shock Solid tumours Stroke Thrombocytopenia Thromboembolism Inflammatory disease Inflammatory bowel disease Conjunctivitis Cerebral infarction Cardiac arrhythmias Allergy Asthma Brain ischaemia [ Show all ]
Length	342
Amino acid sequence	MEPHDSSHMDSEFRYTLFPIVYSIIFVLGVIANGYVLWVFARLYPCKKFNEIKIFMVNLTMADMLFLITLPLWIVYYQNQGNWILPKFLCNVAGCLFFINTYCSVAFLGVITYNRFQAVTRPIKTAQANTRKRGISLSLVIWVAIVGAASYFLILDSTNTVPDSAGSGNVTRCFEHYEKGSVPVLIIHIFIVFSFFLVFLIILFCNLVIIRTLLMQPVQQQRNAEVKRRALWMVCTVLAVFIICFVPHHVVQLPWTLAELGFQDSKFHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLTEKFYSMRSSRKCSRATTDTVTEVVVPFNQIPGNSLKN
UniProt	P25105
Protein Data Bank	5zkq, 5zkp
GPCR-HGmod model	P25105
3D structure model	This structure is from PDB ID 5zkq.
BioLiP	BL0417415, BL0417417,BL0417419, BL0417416,BL0417418, BL0417414
Therapeutic Target Database	T87023
ChEMBL	CHEMBL250
IUPHAR	334
DrugBank	BE0005561

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	ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate NCGC00015619-09 Alarin Flonidan (TN) NCGC00023125-06 AN-14336 HMS2093I15 NSC721075 Bedix Loratadina Lisino HMS502H14 Pylor CAS-79794-75-5 Lorantis KBio1_000792 Roletra (TN) CL0028 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 KS-00000JOZ Sch29851 Claritin D Loratadine, Pharmaceutical Secondary Standard; Certified Reference Material 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester Spectrum2_001584 Clarityn (TN) Loraver 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester SR-01000075968-4 CS-0887 MCULE-5073177964 8-chloro-6,11-dihydro-11-(1- ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine Tidilor (TN) DSSTox_CID_3224 NCGC00015619-01 AB2000066 UNII-7AJO3BO7QN Wyeth Brand of Loratadine 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 NCGC00015619-12 Alavert, Claritin, Loratadine FT-0627976 NCGC00261365-01 BBL010757 L000667 HMS3268M16 Opera_ID_1868 Bonalerg Lopac0_000680 HY-17043 Restamine CHEBI:6538 Loratadina [Spanish] KBio2_007112 Sanelor Claratyne Decongestant Loratadine [USAN:BAN:INN] Sinhistan Dy Claritin reditab Loratadine-d4 11-[N-(ethoxycarbonyl)-4-piperidylidene]-8-chloro-6,11-dihydro-5H-benzo-[5,6]cyclohepta[1,2-b]pyridine Spectrum5_001650 Clarityne Dy Repetabs Loritine STK574925 D06ABF MLS000758260 AB00053224-16 Topcare childrens allergy relief DTXSID2023224 NCGC00015619-04 ACT04775 NCGC00015619-07 AK-88666 Zeos FC1275 NCGC00023125-04 AllergyX (TN) HMS2051G11 NSC-721075 BCP9000858 Lertamine HMS3654L17 Pharmakon1600-01503712 BSPBio_002300 Loradif J10034 Rinomex Children's Claritin Loratadine 0.1 mg/ml in Methanol KBioSS_001976 Sch 29851 Claritin Loratadine, British Pharmacopoeia (BP) Reference Standard 1-Piperidenecarboxylic acid, 4-(8-chloro-5,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester SPBio_001548 Claritine (TN) Loratidine 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cycloheptal[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester SR-01000075968-1 CPD000058255 LS-114660 7AJO3BO7QN Tadine DivK1c_000792 MolPort-002-507-846 AB0012486 Tox21_301532 ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate Velodan ethyl 4-(8-chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-ylidene)piperidine-1-carboxylate NCGC00015619-10 Alavert Fristamin NCGC00023125-07 Anhissen KS-1079 HMS2235G23 NSC758628 BIDD:GT0198 Lomilan (TN) HSDB 3578 Q-100833 CCG-100786 Lorastine KBio2_001976 s1358 Claratyne Loratadine Redidose SCHEMBL4596 Claritin Hives Relief Loratadine, United States Pharmacopeia (USP) Reference Standard 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester Spectrum3_000740 Clarityne Lorfast 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acidethyl ester SR-01000075968-6 CTK8G0633 MFCD00672869 8-Chloro-6,11-dihydro-11-(1-ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine TL8005389 DSSTox_GSID_23224 NCGC00015619-02 AC-2086 Aerotina Z1741979837 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 NCGC00015619-13 Alavert;Claritin GTPL7216 NCI60_041473 BCP0726000007 L0223 HMS3371D13 Oprea1_027965 BRD-K82795137-001-02-3 Loracert I14-0747 Rhinase KBio3_001520 SBI-0050659.P003 Clarinase Loratadine [USAN:USP:INN:BAN] SMR000058255 Claritin Reditabs Loratadinum Spectrum_001496 Clarityne-D Lowadina 794L755 SW197416-3 MLS001148466 AB00053224_17 Tox21_110185 Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylate NCGC00015619-05 NCGC00015619-08 AKOS005499513 ZINC537931 Flonidan NCGC00023125-05 Allertidin HMS2090O18 NSC-758628 BDBM22876 Lesidas HMS3714E09 Polaratyne C22H23ClN2O2 Loranox JCCNYMKQOSZNPW-UHFFFAOYSA-N Roletra Civeran Loratadine for system suitability, European Pharmacopoeia (EP) Reference Standard Klaritin Sch-29851 Claritin (TN) Loratadine, European Pharmacopoeia (EP) Reference Standard 1-Piperidenecarboxylic acid,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester SPECTRUM1503712 Clarityn Loratyne 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester SR-01000075968-3 Cronopen M-5196 8-chloro-11-(1-ethoxycarbonyl-4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine Talorat Dy DL-436 NC00036 AB06849 Tox21_500680 Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidine)-1-piperidinecarboxylate Versal 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 NCGC00015619-11 Alavert (TN) Fristamin (TN) NCGC00255171-01 Bactimicina allergy L 9664 HMS3262G21 Nularef Biloina Lopac-L-9664 HTS028367 REGID_for_CID_3957 CCG-39362 Loratadina KBio2_004544 SAM001246987 Claratyne Cold Loratadine Wyeth Brand Sensibit Claritin Hives Relief Reditab Loratadine,(S) 1-piperidinecarboxylic acid,4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-,ethyl ester Spectrum4_000177 Clarityne (TN) Lorfast (TN) 4-(8-chloro-5,6-dihydrobenzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester ST2413201 D00364 MLS000069647 AB00053224-15 Tocris-1944 DSSTox_RID_76931 NCGC00015619-03 AC1L1H3E AJ-23376 ZB014352 EU-0100680 NCGC00023125-02 Alerpriv Histaloran NINDS_000792 BCP22338 Lergy HMS3393G11 Optimin BRD-K82795137-001-10-6 Loradex IDI1_000792 Rinolan (TN) CHEMBL998 Loratadine (JAN/USAN/INN) KBioGR_000693 SC-13436 Clarinase Reperabs Loratadine, >=98% (HPLC), powder Sohotin Claritine Loratadinum [Latin] 4-(8-Chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester SR-01000075968 Clarium LP00680 79794-75-5 Symphoral (TN) DB00455 MLS001423984 AB00053224_18 Tox21_110185_1 Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate NCGC00015619-06 [ 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
IC50	<50000.0 nM	PMID1671420	BindingDB,ChEMBL
IC50	135000.0 nM	PMID16220969	BindingDB,ChEMBL

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