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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	MLS001116146
Molecular formula	C20H18ClN3O5S
IUPAC name	2-benzylsulfonyl-5-chloro-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
Molecular weight	447.89
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BDBM67359 STK912281 2-benzylsulfonyl-5-chloro-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide cid_16446380 MolPort-000-522-999 ZINC8916939 5-chloranyl-N-(2,5-dimethoxyphenyl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide MCULE-5637659271 AKOS001519004 SMR000625769 2-(benzylsulfonyl)-5-chloro-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide CHEMBL1404578 5-chloro-N-(2,5-dimethoxyphenyl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide [ Show all ]
Inchi Key	IIVFQIWIHKVKTD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18ClN3O5S/c1-28-14-8-9-17(29-2)16(10-14)23-19(25)18-15(21)11-22-20(24-18)30(26,27)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,25)
PubChem CID	16446380
ChEMBL	CHEMBL1404578
IUPHAR	N/A
BindingDB	67359
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
134243	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
134244	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
134241	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764
134242	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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