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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	CHEMBL354363
Molecular formula	C33H43N5O5
IUPAC name	tert-butyl 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	589.737
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	4.8
Synonyms	BDBM50284147 [(S)-1-[(S)-1-((S)-3-Benzyl-5-oxo-piperazine-1-carbonyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
Inchi Key	NKQUZOWPOCJXRE-WIRXVTQYSA-N
Inchi ID	InChI=1S/C33H43N5O5/c1-21(2)15-28(31(41)38-19-24(35-29(39)20-38)16-22-11-7-6-8-12-22)36-30(40)27(37-32(42)43-33(3,4)5)17-23-18-34-26-14-10-9-13-25(23)26/h6-14,18,21,24,27-28,34H,15-17,19-20H2,1-5H3,(H,35,39)(H,36,40)(H,37,42)/t24-,27-,28-/m0/s1
PubChem CID	44382747
ChEMBL	CHEMBL354363
IUPHAR	N/A
BindingDB	50284147
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
225747	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
225748	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453

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