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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	CHEMBL2112239
Molecular formula	C31H37N5O5
IUPAC name	tert-butyl N-[(2S)-1-[[(4aR,5S)-2-(4-methylphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight	559.667
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.9
Synonyms	N/A
Inchi Key	CFELHZHMJBEVRS-KKUQBAQOSA-N
Inchi ID	InChI=1S/C31H37N5O5/c1-19-11-13-21(14-12-19)36-27(37)17-26-24(10-7-15-35(26)30(36)40)33-28(38)25(34-29(39)41-31(2,3)4)16-20-18-32-23-9-6-5-8-22(20)23/h5-6,8-9,11-14,18,24-26,32H,7,10,15-17H2,1-4H3,(H,33,38)(H,34,39)/t24-,25-,26+/m0/s1
PubChem CID	10962743
ChEMBL	CHEMBL2112239
IUPHAR	N/A
BindingDB	N/A
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
40569	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
40570	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452

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