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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	CHEMBL380907
Molecular formula	C32H41N5O3
IUPAC name	2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
Molecular weight	543.712
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.9
Synonyms	BDBM50410849 SCHEMBL3919316
Inchi Key	ATEVJIZSYFNEAX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H41N5O3/c1-32(2,3)28(38)21-36-27-17-8-7-16-26(27)30(23-12-5-4-6-13-23)34-37(31(36)40)22-29(39)33-24-14-11-15-25(20-24)35-18-9-10-19-35/h7-8,11,14-17,20,23H,4-6,9-10,12-13,18-19,21-22H2,1-3H3,(H,33,39)
PubChem CID	11613982
ChEMBL	CHEMBL380907
IUPHAR	N/A
BindingDB	50410849
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
13883	Cholecystokinin receptor type A	P32238	CCKAR	Homo sapiens (Human)	428
13884	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
13885	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452

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