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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	CHEMBL363622
Molecular formula	C24H17BrN2O3
IUPAC name	8-[[(2S,4S,6S)-17-bromo-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]-7-oxa-8-azabicyclo[4.2.0]octa-1(6),2,4-triene-3-carbonitrile
Molecular weight	461.315
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.9
Synonyms	BDBM50167756 8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-7-oxa-8-aza-bicyclo[4.2.0]octa-1(6),2,4-triene-3-carbonitrile
Inchi Key	MHJXLVTYMLXXNI-KEWLPNKHSA-N
Inchi ID	InChI=1S/C24H17BrN2O3/c25-15-6-8-22-19(10-15)24-18(17-3-1-2-4-21(17)29-22)11-16(28-24)13-27-20-9-14(12-26)5-7-23(20)30-27/h1-10,16,18,24H,11,13H2/t16-,18-,24-/m0/s1
PubChem CID	44402413
ChEMBL	CHEMBL363622
IUPHAR	N/A
BindingDB	50167756
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
205521	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
205520	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
205522	Nociceptin receptor	P35370	Oprl1	Rattus norvegicus (Rat)	367

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