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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	CHEMBL434113
Molecular formula	C40H46N4O5
IUPAC name	2-adamantyl N-[4-[2-(4-hydroxyphenyl)ethylamino]-2-(1H-indol-3-ylmethyl)-1,4-dioxo-1-(2-phenylethylamino)butan-2-yl]carbamate
Molecular weight	662.831
Hydrogen bond acceptor	5
Hydrogen bond donor	5
XlogP	6.4
Synonyms	[2-[2-(4-Hydroxy-phenyl)-ethylcarbamoyl]-1-(1H-indol-3-ylmethyl)-1-phenethylcarbamoyl-ethyl]-carbamic acid adamantan-2-yl ester BDBM50281742
Inchi Key	CIFWKDWGIILVDN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C40H46N4O5/c45-33-12-10-27(11-13-33)14-16-41-36(46)24-40(23-32-25-43-35-9-5-4-8-34(32)35,38(47)42-17-15-26-6-2-1-3-7-26)44-39(48)49-37-30-19-28-18-29(21-30)22-31(37)20-28/h1-13,25,28-31,37,43,45H,14-24H2,(H,41,46)(H,42,47)(H,44,48)
PubChem CID	44382561
ChEMBL	CHEMBL434113
IUPHAR	N/A
BindingDB	50281742
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
42661	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
42660	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453

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