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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	CHEMBL466271
Molecular formula	C32H36BrIN4O6
IUPAC name	ethyl 4-[[(2S)-1-[[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrrolidin-1-ium-3-yl]amino]-3-(4-bromophenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate;iodide
Molecular weight	779.47
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	None
Synonyms	N/A
Inchi Key	ABPAUEWHUKZUPD-UYCLPYRZSA-N
Inchi ID	InChI=1S/C32H35BrN4O6.HI/c1-3-41-31(39)23-7-11-25(12-8-23)35-32(40)36-27(16-21-4-9-24(33)10-5-21)30(38)34-26-14-15-37(2,19-26)18-22-6-13-28-29(17-22)43-20-42-28;/h4-13,17,26-27H,3,14-16,18-20H2,1-2H3,(H2-,34,35,36,38,39,40);1H/t26-,27-,37?;/m0./s1
PubChem CID	45266389
ChEMBL	CHEMBL466271
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
1054	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
1056	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
1055	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590

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