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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	CHEMBL389639
Molecular formula	C30H36N4O5S
IUPAC name	2-[3-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]sulfanylacetic acid
Molecular weight	564.701
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.4
Synonyms	SCHEMBL3912923 BDBM50411345
Inchi Key	HUOIRVSSWJKCQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H36N4O5S/c1-30(2,3)25(35)17-33-24-15-8-7-14-23(24)28(20-10-5-4-6-11-20)32-34(29(33)39)18-26(36)31-21-12-9-13-22(16-21)40-19-27(37)38/h7-9,12-16,20H,4-6,10-11,17-19H2,1-3H3,(H,31,36)(H,37,38)
PubChem CID	16732911
ChEMBL	CHEMBL389639
IUPHAR	N/A
BindingDB	50411345
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
124479	Cholecystokinin receptor type A	P32238	CCKAR	Homo sapiens (Human)	428
124478	Gastrin/cholecystokinin type B receptor	P30552	CCKBR	Canis lupus familiaris (Dog)	453
124480	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
124481	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452

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