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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	CHEMBL450105
Molecular formula	C35H34N6O5
IUPAC name	2-[[(2S)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazine-2-carbonyl]amino]acetic acid
Molecular weight	618.694
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.7
Synonyms	BDBM50245205 SCHEMBL2916744 2-((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazine-6-carboxamido)acetic acid
Inchi Key	QKHVTHLTEWQMRA-HKBQPEDESA-N
Inchi ID	InChI=1S/C35H34N6O5/c1-3-46-28-9-6-8-26(18-28)41-21-30(38-33(41)24-13-11-23(2)12-14-24)35(45)40-16-15-39(22-31(40)34(44)37-20-32(42)43)27-17-25-7-4-5-10-29(25)36-19-27/h4-14,17-19,21,31H,3,15-16,20,22H2,1-2H3,(H,37,44)(H,42,43)/t31-/m0/s1
PubChem CID	24769546
ChEMBL	CHEMBL450105
IUPHAR	N/A
BindingDB	50245205
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
280374	Cholecystokinin receptor type A	P32238	CCKAR	Homo sapiens (Human)	428
280375	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436

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