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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Pca 4248
Molecular formula	C19H23NO4S
IUPAC name	3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular weight	361.456
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.6
Synonyms	2-phenylthioethyl 5-(methoxycarbonyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-ca rboxylate AC1Q68IS Bio2_000817 D0Q1UR HMS3428G07 KBioGR_000334 NCGC00024658-03 SCHEMBL10587428 ST50331318 3-(2-(Phenylthio)ethyl)-5-methoxycarbonyl-4-methyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate AKOS022067894 BRD-A29289453-001-03-9 HMS1362B15 KBio2_000334 methyl 2-(phenylsulfanyl)ethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-(2-phenylthio)ethyl diester Bio1_001443 CHEMBL1395565 HMS3266M12 KBio3_000667 MolPort-002-321-581 Pyridine-3, 5-dicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, methyl 2-phenylthioethyl ester SR-01000597713 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, methyl 2-(phenylthio)ethyl ester ACMC-1BWXC BN0415 DHCNAWNKZMNTIS-UHFFFAOYSA-N IDI1_002092 KBioSS_000334 NCGC00024658-04 STK368865 1,4-Dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylic acid methyl 2-(phenylthio)ethyl ester 3-Methyl 5-[2-(phenylsulfanyl)ethyl] 2,4,6-trimethyl-1,4-dihydro-3,5-pyridinedicarboxylate # Bio1_000465 BSPBio_000994 HMS1792B15 KBio2_002902 METHYL-2-(PHENYLTHIO)ETHYL-1,4-DIHYDRO-2,4,6-TRIMETHYL-PYRIDINE-3,5-DICARBOXYLATE Pca-4248 2-(Phenylthio)ethyl-5-methoxycarbonyl-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate AC1L1IR4 Bio2_000337 CTK4B3662 HMS3403B15 KBio3_000668 NCGC00024658-02 RT-014951 SR-01000597713-1 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,4,6-trimethyl-, 3-methyl 5-[2-(phenylthio)ethyl] ester AKOS001610477 BRD-A29289453-001-02-1 GTPL6080 J-004992 MCULE-2896596940 O5-methyl O3-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate TIAPAFANT 123875-01-4 3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate Bio1_000954 CHEBI:91615 HMS1990B15 KBio2_005470 METHYL-2-(PHENYLTHIO)ETHYL-1,4-DIHYDRO-2,4,6-TRIMETHYLPYRIDINE-3,5-DICARBOXYLATE PTEMC [ Show all ]
Inchi Key	DHCNAWNKZMNTIS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23NO4S/c1-12-16(18(21)23-4)13(2)20-14(3)17(12)19(22)24-10-11-25-15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3
PubChem CID	4698
ChEMBL	N/A
IUPHAR	6080
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
A2	39.8107 nM	PMID2170626	IUPHAR
IC50	3600.0 nM	PMID2170626	IUPHAR

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