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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	CHEMBL136531
Molecular formula	C16H22N2O2
IUPAC name	N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]butanamide
Molecular weight	274.364
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.4
Synonyms	N-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-butyramide SCHEMBL6584731 BDBM50136402 N-[(3S)-1-(2,3-Dihydrobenzofuran-4-yl)-3-pyrrolidinyl]butanamide
Inchi Key	AUJCIORXQAONNC-LBPRGKRZSA-N
Inchi ID	InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1
PubChem CID	44358146
ChEMBL	CHEMBL136531
IUPHAR	N/A
BindingDB	50136402
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
14678	Melatonin receptor type 1A	P48039	MTNR1A	Homo sapiens (Human)	350
14679	Melatonin receptor type 1B	P49286	MTNR1B	Homo sapiens (Human)	362

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