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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	MLS000122826
Molecular formula	C23H27N5O3S2
IUPAC name	2-[[4-(2,4-dimethylphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular weight	485.621
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.3
Synonyms	ZINC1328355 2-[[4-(2,4-dimethylphenyl)-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide HMS2402A23 Oprea1_676674 2-[[4-(2,4-dimethylphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide ASN 04654721 2-[[4-(2,4-dimethylphenyl)-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide CHEMBL1382150 AC1LS11I SMR000123471 2-[[4-(2,4-dimethylphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide BDBM62077 2-{4-(2,4-Dimethyl-phenyl)-5-[4-(piperidine-1-sulfonyl)-phenyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide cid_1431538 MLS001368484 AKOS000801217 [ Show all ]
Inchi Key	CGIRIMAQFCOUKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27N5O3S2/c1-16-6-11-20(17(2)14-16)28-22(25-26-23(28)32-15-21(24)29)18-7-9-19(10-8-18)33(30,31)27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15H2,1-2H3,(H2,24,29)
PubChem CID	1431538
ChEMBL	CHEMBL1382150
IUPHAR	N/A
BindingDB	62077
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
41359	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
41360	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328
467984	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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