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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	CHEMBL368380
Molecular formula	C32H39N5O5
IUPAC name	tert-butyl N-[(2S)-1-[[(2R,8S,8aR)-2-benzyl-2-carbamoyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizin-8-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight	573.694
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	4.1
Synonyms	BDBM50289203 [(S)-1-((2R,8S,8aR)-2-Benzyl-2-carbamoyl-3-oxo-octahydro-indolizin-8-ylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
Inchi Key	COAJVURUXJGOLB-KYFCECMNSA-N
Inchi ID	InChI=1S/C32H39N5O5/c1-31(2,3)42-30(41)36-25(16-21-19-34-23-13-8-7-12-22(21)23)27(38)35-24-14-9-15-37-26(24)18-32(28(33)39,29(37)40)17-20-10-5-4-6-11-20/h4-8,10-13,19,24-26,34H,9,14-18H2,1-3H3,(H2,33,39)(H,35,38)(H,36,41)/t24-,25-,26+,32+/m0/s1
PubChem CID	10325770
ChEMBL	CHEMBL368380
IUPHAR	N/A
BindingDB	50289203
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
46487	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
46488	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452

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