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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	AC1MLEST
Molecular formula	C21H25N5O5S
IUPAC name	4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[2-(cyclohexylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
Molecular weight	459.521
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	2.3
Synonyms	4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[2-(cyclohexylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide ZINC12709599 ASN 03367688 NCGC00161846-01 Oprea1_461262 AKOS000798890 CHEMBL1555290 [ Show all ]
Inchi Key	VCMJZLGECJCXSU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25N5O5S/c22-17-18(20(23)28)25-32-19(17)21(29)26(10-16(27)24-13-4-2-1-3-5-13)9-12-6-7-14-15(8-12)31-11-30-14/h6-8,13H,1-5,9-11,22H2,(H2,23,28)(H,24,27)
PubChem CID	3172428
ChEMBL	CHEMBL1555290
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
351711	Follicle-stimulating hormone receptor	P23945	FSHR	Homo sapiens (Human)	695
351712	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
351713	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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