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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	BDBM50295231
Molecular formula	C25H25F3N2O
IUPAC name	3-methyl-6-[2-(trifluoromethyl)phenyl]spiro[6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1'-cyclopentane]-7-one
Molecular weight	426.483
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.9
Synonyms	(+)-8''-methyl-11''-(2-(trifluoromethyl)phenyl)-4'',5'',10'',11''-tetrahydrospiro[cyclopentane-1,3''-dibenzo[b,e][1,4]diazepin]-1''(2''H)-one 8''-methyl-11''-(2-(trifluoromethyl)phenyl)-4'',5'',10'',11''-tetrahydrospiro[cyclopentane-1,3''-dibenzo[b,e][1,4]diazepin]-1''(2''H)-one (-)-8''-methyl-11''-(2-(trifluoromethyl)phenyl)-4'',5'',10'',11''-tetrahydrospiro[cyclopentane-1,3''-dibenzo[b,e][1,4]diazepin]-1''(2''H)-one
Inchi Key	IQWRORKDYCAGBT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H25F3N2O/c1-15-8-9-18-19(12-15)30-23(16-6-2-3-7-17(16)25(26,27)28)22-20(29-18)13-24(14-21(22)31)10-4-5-11-24/h2-3,6-9,12,22-23,30H,4-5,10-11,13-14H2,1H3
PubChem CID	91934302
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50295231
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
139734	Neuromedin-B receptor	P28336	NMBR	Homo sapiens (Human)	390

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