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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	CHEMBL259276
Molecular formula	C31H38N4O6
IUPAC name	3-[3-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,3,5-benzotriazepin-3-yl]acetyl]amino]phenyl]propanoic acid
Molecular weight	562.667
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.3
Synonyms	BDBM50411976 SCHEMBL5441488
Inchi Key	DCDJQVPDQHYOFS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H38N4O6/c1-31(2,3)26(36)19-33-24-14-7-8-15-25(24)35(23-12-5-4-6-13-23)30(41)34(29(33)40)20-27(37)32-22-11-9-10-21(18-22)16-17-28(38)39/h7-11,14-15,18,23H,4-6,12-13,16-17,19-20H2,1-3H3,(H,32,37)(H,38,39)
PubChem CID	44451622
ChEMBL	CHEMBL259276
IUPHAR	N/A
BindingDB	50411976
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
56242	Cholecystokinin receptor type A	P32238	CCKAR	Homo sapiens (Human)	428
56241	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
56243	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452

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