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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	SMR000006308
Molecular formula	C17H26N4O4S
IUPAC name	[2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
Molecular weight	382.479
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.8
Synonyms	BDBM97055 4-amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester cid_646580 SR-01000328086-4 AKOS000804165 MLS000880747 [2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-azanyl-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate 4-amino-3-(cyclohexylcarbamoyl)isothiazole-5-carboxylic acid [2-(tert-butylamino)-2-keto-ethyl] ester SR-01000328086 HMS2379D21 SR-01000328086-5 ASN 06264474 regid844256 [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate 4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid tert-butylcarbamoyl-methyl ester CHEMBL1392033 SR-01000328086-1 AC1LDDZ7 MLS000031973 ZINC4889908 [ Show all ]
Inchi Key	FEQNTUXIYYKDDE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H26N4O4S/c1-17(2,3)20-11(22)9-25-16(24)14-12(18)13(21-26-14)15(23)19-10-7-5-4-6-8-10/h10H,4-9,18H2,1-3H3,(H,19,23)(H,20,22)
PubChem CID	646580
ChEMBL	CHEMBL1392033
IUPHAR	N/A
BindingDB	97055
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
76533	Galanin receptor type 3	O60755	GALR3	Homo sapiens (Human)	368
76532	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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