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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	CHEMBL504114
Molecular formula	C38H38FN5O5
IUPAC name	3-[(3S)-4-[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carbonyl]-3-(propan-2-ylcarbamoyl)piperazin-1-yl]naphthalene-1-carboxylic acid
Molecular weight	663.75
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	6.5
Synonyms	BDBM50245192 SCHEMBL2914922 3-((S)-4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)-3-(isopropylcarbamoyl)piperazin-1-yl)-1-naphthoic acid
Inchi Key	LSCIMDSUMCZFEP-UMSFTDKQSA-N
Inchi ID	InChI=1S/C38H38FN5O5/c1-5-49-28-11-8-10-26(19-28)44-21-33(41-35(44)30-14-13-24(4)17-32(30)39)37(46)43-16-15-42(22-34(43)36(45)40-23(2)3)27-18-25-9-6-7-12-29(25)31(20-27)38(47)48/h6-14,17-21,23,34H,5,15-16,22H2,1-4H3,(H,40,45)(H,47,48)/t34-/m0/s1
PubChem CID	24769604
ChEMBL	CHEMBL504114
IUPHAR	N/A
BindingDB	50245192
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
195084	Cholecystokinin receptor type A	P32238	CCKAR	Homo sapiens (Human)	428
195085	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436

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