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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	CHEMBL521244
Molecular formula	C31H33N5O5
IUPAC name	ethyl 4-[[(2S)-1-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
Molecular weight	555.635
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	3.6
Synonyms	BDBM50413153 SCHEMBL5311570
Inchi Key	AMWYWNMCYBNFMO-RXBHZZDJSA-N
Inchi ID	InChI=1S/C31H33N5O5/c1-2-41-30(39)24-8-10-25(11-9-24)34-31(40)35-28(17-21-6-12-27(37)13-7-21)29(38)33-26-14-15-36(20-26)19-23-5-3-4-22(16-23)18-32/h3-13,16,26,28,37H,2,14-15,17,19-20H2,1H3,(H,33,38)(H2,34,35,40)/t26?,28-/m0/s1
PubChem CID	44590122
ChEMBL	CHEMBL521244
IUPHAR	N/A
BindingDB	50413153
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
9331	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
9329	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
9330	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590

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