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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	CHEMBL29331
Molecular formula	C46H55N7O5
IUPAC name	6-[[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]hexanamide
Molecular weight	785.99
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	6.2
Synonyms	6-{2-[2-Oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-hexanoic acid [3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-amide BDBM50287238
Inchi Key	KABZRBRZZFAAPS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C46H55N7O5/c1-34-16-13-20-37(30-34)49-46(57)51-44-45(56)53(40-23-9-8-22-39(40)43(50-44)36-18-5-2-6-19-36)33-42(55)48-25-10-3-7-24-41(54)47-26-15-29-58-38-21-14-17-35(31-38)32-52-27-11-4-12-28-52/h2,5-6,8-9,13-14,16-23,30-31,44H,3-4,7,10-12,15,24-29,32-33H2,1H3,(H,47,54)(H,48,55)(H2,49,51,57)
PubChem CID	44280200
ChEMBL	CHEMBL29331
IUPHAR	N/A
BindingDB	50287238
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
164196	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
164197	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453
164198	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
164199	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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