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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	MLS001029145
Molecular formula	C29H38ClN7O
IUPAC name	N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide
Molecular weight	536.121
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.3
Synonyms	MCULE-9540854332 N-{[1-(4-chlorobenzyl)piperidin-4-yl]methyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide BDBM79035 cid_20912355 N-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-3-piperidinecarboxamide AKOS001545206 MLS-0367695.0001 SMR000629112 MolPort-007-755-521 HMS2956A09 N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide AKOS021963057 MLS-0367695.0002 CHEMBL1523981 N-[[1-(4-chlorobenzyl)-4-piperidyl]methyl]-1-(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)nipecotamide [ Show all ]
Inchi Key	DLXQIDMLWQCEFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H38ClN7O/c30-24-9-7-22(8-10-24)18-35-15-11-21(12-16-35)17-31-29(38)23-5-4-13-36(19-23)27-26-28(33-20-32-27)37-14-3-1-2-6-25(37)34-26/h7-10,20-21,23H,1-6,11-19H2,(H,31,38)
PubChem CID	20912355
ChEMBL	CHEMBL1523981
IUPHAR	N/A
BindingDB	79035
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
63444	Galanin receptor type 3	O60755	GALR3	Homo sapiens (Human)	368
63443	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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