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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	PF-5274857
Molecular formula	C20H25ClN4O3S
IUPAC name	1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one
Molecular weight	436.955
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.8
Synonyms	1-[4-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)piperazin-1-yl]-3-(methylsulfonyl)propan-1-one MLS006011067 SB19499 DTXSID70719132 NCGC00346696-06 SW219321-1 1-(4-(5'-chloro-3,5-dimethyl-[2,4'-bipyridin]-2'-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one BDBM162989 J-503198 RL01646 Y0361 1-[4-(5'-Chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)piperazin-1-yl]-3-(methanesulfonyl)propan-1-one CHEMBL3186656 MolPort-027-720-957 SCHEMBL2715391 AKOS025149424 HMS3656N06 US9056865, A-116 1-(4-(5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one C20H25ClN4O3S KB-145934 s2777 ZINC87493318 1373615-35-0 CS-1206 NCGC00346696-01 SMR004702858 1-(4-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one BBVNTTZIOTWDSV-UHFFFAOYSA-N HY-13459 QC-1145 W-5943 [ Show all ]
Inchi Key	BBVNTTZIOTWDSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25ClN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3
PubChem CID	56956240
ChEMBL	CHEMBL3186656
IUPHAR	N/A
BindingDB	162989
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
459392	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787

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