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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	CHEMBL339213
Molecular formula	C35H34BrCl2N3O2S
IUPAC name	N-[(2S)-4-[4-[4-bromo-2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methylnaphthalene-1-carboxamide
Molecular weight	711.54
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	7.8
Synonyms	N/A
Inchi Key	LISDXZHBFMSEKB-WWUDGXSDSA-N
Inchi ID	InChI=1S/C35H34BrCl2N3O2S/c1-40(35(42)31-18-23(21-39)17-26-5-3-4-6-29(26)31)22-27(25-7-10-32(37)33(38)19-25)13-16-41-14-11-24(12-15-41)30-9-8-28(36)20-34(30)44(2)43/h3-10,17-20,24,27H,11-16,22H2,1-2H3/t27-,44+/m1/s1
PubChem CID	10941557
ChEMBL	CHEMBL339213
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
188515	Substance-K receptor	Q64077	TACR2	Cavia porcellus (Guinea pig)	402
188517	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
188516	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407
188518	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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