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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	CHEMBL513228
Molecular formula	C25H32N4O5
IUPAC name	ethyl 4-[[(2S)-1-[(1-ethylpyrrolidin-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
Molecular weight	468.554
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	2.7
Synonyms	BDBM50413144
Inchi Key	AMISGKITNKHXTK-IAXKEJLGSA-N
Inchi ID	InChI=1S/C25H32N4O5/c1-3-29-14-13-20(16-29)26-23(31)22(15-17-5-11-21(30)12-6-17)28-25(33)27-19-9-7-18(8-10-19)24(32)34-4-2/h5-12,20,22,30H,3-4,13-16H2,1-2H3,(H,26,31)(H2,27,28,33)/t20?,22-/m0/s1
PubChem CID	44590166
ChEMBL	CHEMBL513228
IUPHAR	N/A
BindingDB	50413144
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
8926	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
8925	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
8924	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590

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