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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	CHEMBL213709
Molecular formula	C39H45F3N4O4
IUPAC name	(2R)-N-[(1-ethylpiperidin-4-yl)methyl]-1-[(2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
Molecular weight	690.808
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.1
Synonyms	BDBM50194657 SCHEMBL4611569 (2R)-N-(1-ethyl-4-piperidinylmethyl)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluorophenyl)propanoyl]pyrrolidine-2-yl)carbonylpyrrolidine-2-carboxamide
Inchi Key	AOYBULVQHCLRGS-VATRIRCNSA-N
Inchi ID	InChI=1S/C39H45F3N4O4/c1-2-44-20-17-26(18-21-44)24-43-37(49)34-4-3-19-45(34)38(50)35-22-33(47)25-46(35)36(48)23-39(27-5-11-30(40)12-6-27,28-7-13-31(41)14-8-28)29-9-15-32(42)16-10-29/h5-16,26,33-35,47H,2-4,17-25H2,1H3,(H,43,49)/t33-,34-,35+/m1/s1
PubChem CID	16086061
ChEMBL	CHEMBL213709
IUPHAR	N/A
BindingDB	50194657
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
10707	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
10709	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
10706	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
10708	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
10705	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532

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