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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	CHEMBL119990
Molecular formula	C29H31NO3S
IUPAC name	(2S)-1-[(4aR)-1-oxo-4,4-diphenyl-2,3,4a,5,7,7a-hexahydrothiopyrano[2,3-c]pyrrol-6-yl]-2-(2-methoxyphenyl)propan-1-one
Molecular weight	473.631
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.5
Synonyms	(S)-2-(2-Methoxy-phenyl)-1-((R)-1-oxo-4,4-diphenyl-octahydro-1lambda4-thiopyrano[2,3-c]pyrrol-6-yl)-propan-1-one RP-73647 BDBM50284050 RP-73467
Inchi Key	CPXJDCBDUXOLGC-SJMRASGKSA-N
Inchi ID	InChI=1S/C29H31NO3S/c1-21(24-15-9-10-16-26(24)33-2)28(31)30-19-25-27(20-30)34(32)18-17-29(25,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,25,27H,17-20H2,1-2H3/t21-,25+,27?,34?/m0/s1
PubChem CID	44346420
ChEMBL	CHEMBL119990
IUPHAR	N/A
BindingDB	50284050
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
47796	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407
47797	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407
47798	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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