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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	CHEMBL97246
Molecular formula	C22H25N3OS
IUPAC name	2-(3-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
Molecular weight	379.522
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.8
Synonyms	3-Isothiocyanato-N-methyl-N-[(S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]benzeneacetamide 2-(3-Isothiocyanato-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide BDBM50039968
Inchi Key	AQNKJLVANZELEX-OAQYLSRUSA-N
Inchi ID	InChI=1S/C22H25N3OS/c1-24(22(26)15-18-8-7-11-20(14-18)23-17-27)21(16-25-12-5-6-13-25)19-9-3-2-4-10-19/h2-4,7-11,14,21H,5-6,12-13,15-16H2,1H3/t21-/m1/s1
PubChem CID	10022640
ChEMBL	CHEMBL97246
IUPHAR	N/A
BindingDB	50039968
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
11942	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
11941	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
11943	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98

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