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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	CHEMBL169178
Molecular formula	C31H39N5O5
IUPAC name	ethyl N-[(2S)-1-[[(2S)-1-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight	561.683
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	4.2
Synonyms	[(S)-1-[(S)-1-((S)-3-Benzyl-5-oxo-piperazine-1-carbonyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid ethyl ester BDBM50284160
Inchi Key	OZUOLBQFMDPMGS-YGPDHOBYSA-N
Inchi ID	InChI=1S/C31H39N5O5/c1-4-41-31(40)35-26(16-22-17-32-25-13-9-8-12-24(22)25)29(38)34-27(14-20(2)3)30(39)36-18-23(33-28(37)19-36)15-21-10-6-5-7-11-21/h5-13,17,20,23,26-27,32H,4,14-16,18-19H2,1-3H3,(H,33,37)(H,34,38)(H,35,40)/t23-,26-,27-/m0/s1
PubChem CID	44382218
ChEMBL	CHEMBL169178
IUPHAR	N/A
BindingDB	50284160
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
254291	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
254290	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453

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