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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	CHEMBL2112231
Molecular formula	C32H40N6O5
IUPAC name	tert-butyl N-[(2S)-1-[[(4aS,5R)-2-[3-(dimethylamino)phenyl]-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	588.709
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.7
Synonyms	N/A
Inchi Key	CQERODVQPASAAN-PVHODMMVSA-N
Inchi ID	InChI=1S/C32H40N6O5/c1-32(2,3)43-30(41)35-26(16-20-19-33-24-13-7-6-12-23(20)24)29(40)34-25-14-9-15-37-27(25)18-28(39)38(31(37)42)22-11-8-10-21(17-22)36(4)5/h6-8,10-13,17,19,25-27,33H,9,14-16,18H2,1-5H3,(H,34,40)(H,35,41)/t25-,26+,27+/m1/s1
PubChem CID	11039204
ChEMBL	CHEMBL2112231
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
47999	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
48000	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452

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