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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	CHEMBL284183
Molecular formula	C40H44N6O4
IUPAC name	2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Molecular weight	672.83
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	5.3
Synonyms	BDBM50287257 2-{3-[3-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-phenyl}-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-acetamide
Inchi Key	PMGJGWUEROWQJW-LHEWISCISA-N
Inchi ID	InChI=1S/C40H44N6O4/c1-45-35-20-7-6-19-34(35)37(31-15-4-2-5-16-31)43-38(39(45)48)44-40(49)42-32-17-10-13-29(25-32)27-36(47)41-21-12-24-50-33-18-11-14-30(26-33)28-46-22-8-3-9-23-46/h2,4-7,10-11,13-20,25-26,38H,3,8-9,12,21-24,27-28H2,1H3,(H,41,47)(H2,42,44,49)/t38-/m0/s1
PubChem CID	44280116
ChEMBL	CHEMBL284183
IUPHAR	N/A
BindingDB	50287257
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
263228	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
263225	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
263227	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453
263226	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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