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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	CHEMBL31671
Molecular formula	C39H42N6O4
IUPAC name	3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzamide
Molecular weight	658.803
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	5.4
Synonyms	3-[3-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-benzamide BDBM50287258
Inchi Key	OXPFQDPMHQMMAD-BHVANESWSA-N
Inchi ID	InChI=1S/C39H42N6O4/c1-44-34-20-7-6-19-33(34)35(29-14-4-2-5-15-29)42-36(38(44)47)43-39(48)41-31-17-11-16-30(26-31)37(46)40-21-12-24-49-32-18-10-13-28(25-32)27-45-22-8-3-9-23-45/h2,4-7,10-11,13-20,25-26,36H,3,8-9,12,21-24,27H2,1H3,(H,40,46)(H2,41,43,48)/t36-/m0/s1
PubChem CID	44280115
ChEMBL	CHEMBL31671
IUPHAR	N/A
BindingDB	50287258
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
252720	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
252719	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453
252722	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
252721	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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