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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	2-[(2,4-dichlorobenzyl)sulfanyl]-N-methyl-6-[(methylsulfanyl)methyl]-4-pyrimidinamine
Molecular formula	C14H15Cl2N3S2
IUPAC name	2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-6-(methylsulfanylmethyl)pyrimidin-4-amine
Molecular weight	360.315
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.6
Synonyms	2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-6-(methylsulfanylmethyl)pyrimidin-4-amine HMS2498I09 AC1LRPQN MCULE-4082674942 10L-618S SMR000178903 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-N-methyl-6-[(methylsulfanyl)methyl]pyrimidin-4-amine HMS576A14 AKOS005075502 MLS000326273 CHEMBL1490458 ZINC1387642 341965-70-6 KS-00001QVU Bionet1_002652 MolPort-002-851-427 [ Show all ]
Inchi Key	ADANYFWPHVSRKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15Cl2N3S2/c1-17-13-6-11(8-20-2)18-14(19-13)21-7-9-3-4-10(15)5-12(9)16/h3-6H,7-8H2,1-2H3,(H,17,18,19)
PubChem CID	1475538
ChEMBL	CHEMBL1490458
IUPHAR	N/A
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
2081	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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