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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	CHEMBL281017
Molecular formula	C41H46N6O5
IUPAC name	2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Molecular weight	702.856
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	5.8
Synonyms	BDBM50287247 2-{3-[1-Methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenoxy}-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-acetamide
Inchi Key	ILXBHSJAXBREPQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C41H46N6O5/c1-29-12-8-15-32(24-29)43-41(50)45-39-40(49)46(2)36-19-5-4-18-35(36)38(44-39)31-14-10-17-34(26-31)52-28-37(48)42-20-11-23-51-33-16-9-13-30(25-33)27-47-21-6-3-7-22-47/h4-5,8-10,12-19,24-26,39H,3,6-7,11,20-23,27-28H2,1-2H3,(H,42,48)(H2,43,45,50)
PubChem CID	44279862
ChEMBL	CHEMBL281017
IUPHAR	N/A
BindingDB	50287247
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
136408	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
136409	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453
136410	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
136411	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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