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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	CHEMBL208688
Molecular formula	C31H28F4N4O2S
IUPAC name	3-[4-[2-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-6-propan-2-ylsulfonyl-6-azaspiro[2.5]octan-2-yl]phenyl]benzonitrile
Molecular weight	596.645
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	6.4
Synonyms	BDBM50186851 SCHEMBL14502098 4''-[1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-6-(propane-2-sulfonyl)-6-aza-spiro[2.5]oct-1-yl]-biphenyl-3-carbonitrile
Inchi Key	HKIMHHCVNCTDQD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H28F4N4O2S/c1-19(2)42(40,41)39-12-10-29(11-13-39)18-30(29,23-8-6-21(7-9-23)22-5-3-4-20(14-22)17-36)28-37-26-15-24(31(33,34)35)25(32)16-27(26)38-28/h3-9,14-16,19H,10-13,18H2,1-2H3,(H,37,38)
PubChem CID	11635715
ChEMBL	CHEMBL208688
IUPHAR	N/A
BindingDB	50186851
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
117240	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
117239	Melanin-concentrating hormone receptor 2	Q969V1	MCHR2	Homo sapiens (Human)	340

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