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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	CHEMBL222139
Molecular formula	C27H27FN2O3S
IUPAC name	5-[[4-[6-fluoro-1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid
Molecular weight	478.582
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.7
Synonyms	PNWBYHPBHNVEKU-UHFFFAOYSA-N 5-[4-(6-fluoro-1-thiophen-2-ylmethyl-1H-indol-3-yl)piperidin-1-ylmethyl]-2-methoxybenzoic acid SCHEMBL5350986 5-[4-(6-fluoro-1-thiophen-2-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-2-methoxy-benzoic acid BDBM50156866
Inchi Key	PNWBYHPBHNVEKU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H27FN2O3S/c1-33-26-7-4-18(13-23(26)27(31)32)15-29-10-8-19(9-11-29)24-17-30(16-21-3-2-12-34-21)25-14-20(28)5-6-22(24)25/h2-7,12-14,17,19H,8-11,15-16H2,1H3,(H,31,32)
PubChem CID	10162727
ChEMBL	CHEMBL222139
IUPHAR	N/A
BindingDB	50156866
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
264447	Histamine H1 receptor	P31389	HRH1	Cavia porcellus (Guinea pig)	488
264448	Histamine H1 receptor	P70174	Hrh1	Mus musculus (Mouse)	488
264446	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359

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