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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	CHEMBL2018573
Molecular formula	C28H25F2N5O3
IUPAC name	(2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-[(4-fluorophenyl)methyl]-1-[2-(triazol-2-yl)acetyl]pyrrolidine-2-carboxamide
Molecular weight	517.537
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.9
Synonyms	ACUYMTWKMROFBQ-IBVKSMDESA-N (2S,4R)-1-(2-(2H-1,2,3-triazol-2-yl)acetyl)-4-(4-fluorobenzyl)-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide BDBM50380413 SCHEMBL1374763
Inchi Key	ACUYMTWKMROFBQ-IBVKSMDESA-N
Inchi ID	InChI=1S/C28H25F2N5O3/c29-21-3-1-19(2-4-21)15-20-16-26(34(17-20)27(36)18-35-31-13-14-32-35)28(37)33-23-7-11-25(12-8-23)38-24-9-5-22(30)6-10-24/h1-14,20,26H,15-18H2,(H,33,37)/t20-,26+/m1/s1
PubChem CID	45377016
ChEMBL	CHEMBL2018573
IUPHAR	N/A
BindingDB	50380413
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
1953	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
1954	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
1955	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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