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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	CHEMBL149326
Molecular formula	C37H39Cl2N3O2S
IUPAC name	3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-2-ethyl-N-methylnaphthalene-1-carboxamide
Molecular weight	660.698
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	7.9
Synonyms	BDBM50138823 3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)-2-(3,4-dichloro-phenyl)-4-{4-[2-((S)-methanesulfinyl)-phenyl]-piperidin-1-yl}-butyl)-methyl-amide
Inchi Key	NSRJRZGIVAVYNI-UDKJZQBVSA-N
Inchi ID	InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
PubChem CID	9874473
ChEMBL	CHEMBL149326
IUPHAR	N/A
BindingDB	50138823
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
231062	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
231061	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
231063	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
231060	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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