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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	BDBM62096
Molecular formula	C23H20ClN3O3S
IUPAC name	1-(4-chlorophenyl)-3-[[1,3-dihydroxy-2-(4-methylphenyl)-7H-4,7-epoxyisoindol-4-yl]methyl]thiourea
Molecular weight	453.941
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	4.2
Synonyms	1-(4-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea cid_12005269 1-(4-chlorophenyl)-3-[[1,3-diketo-2-(p-tolyl)-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea 1-(4-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-bis(oxidanylidene)-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
Inchi Key	CDXJBLOMSQZLRV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20ClN3O3S/c1-13-2-8-16(9-3-13)27-20(28)18-17-10-11-23(30-17,19(18)21(27)29)12-25-22(31)26-15-6-4-14(24)5-7-15/h2-11,17,28-29H,12H2,1H3,(H2,25,26,31)
PubChem CID	91897498
ChEMBL	N/A
IUPHAR	N/A
BindingDB	62096
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
39657	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328

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