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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	CHEMBL129264
Molecular formula	C36H37Cl2N3O3S2
IUPAC name	N-[(2S)-4-[4-[2,4-bis(methylsulfinyl)phenyl]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methylnaphthalene-1-carboxamide
Molecular weight	694.73
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	6.2
Synonyms	N/A
Inchi Key	MJTBCCKFZFYSQP-XUOWTKCVSA-N
Inchi ID	InChI=1S/C36H37Cl2N3O3S2/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(45(2)43)21-35(31)46(3)44/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45?,46?/m1/s1
PubChem CID	11966913
ChEMBL	CHEMBL129264
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
207152	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
207153	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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