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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	D0Q1UR HMS3428G07 KBioGR_000334 NCGC00024658-03 SCHEMBL10587428 2-phenylthioethyl 5-(methoxycarbonyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-ca rboxylate AC1Q68IS Bio2_000817 HMS1362B15 KBio2_000334 methyl 2-(phenylsulfanyl)ethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate ST50331318 3-(2-(Phenylthio)ethyl)-5-methoxycarbonyl-4-methyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate AKOS022067894 BRD-A29289453-001-03-9 CHEMBL1395565 HMS3266M12 KBio3_000667 MolPort-002-321-581 Pyridine-3, 5-dicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, methyl 2-phenylthioethyl ester 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-(2-phenylthio)ethyl diester Bio1_001443 DHCNAWNKZMNTIS-UHFFFAOYSA-N IDI1_002092 KBioSS_000334 NCGC00024658-04 SR-01000597713 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, methyl 2-(phenylthio)ethyl ester ACMC-1BWXC BN0415 HMS1792B15 KBio2_002902 METHYL-2-(PHENYLTHIO)ETHYL-1,4-DIHYDRO-2,4,6-TRIMETHYL-PYRIDINE-3,5-DICARBOXYLATE Pca-4248 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 CTK4B3662 HMS3403B15 KBio3_000668 NCGC00024658-02 RT-014951 2-(Phenylthio)ethyl-5-methoxycarbonyl-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate AC1L1IR4 Bio2_000337 GTPL6080 J-004992 MCULE-2896596940 O5-methyl O3-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate 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 CHEBI:91615 HMS1990B15 KBio2_005470 METHYL-2-(PHENYLTHIO)ETHYL-1,4-DIHYDRO-2,4,6-TRIMETHYLPYRIDINE-3,5-DICARBOXYLATE PTEMC TIAPAFANT 123875-01-4 3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate Bio1_000954 [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
553543	Platelet-activating factor receptor	P25105	PTAFR	Homo sapiens (Human)	342

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