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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	CHEMBL129117
Molecular formula	C35H35Cl2N3O3S
IUPAC name	3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-6-hydroxy-N-methylnaphthalene-1-carboxamide
Molecular weight	648.643
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	6.8
Synonyms	N/A
Inchi Key	IPBZQWXSDJUPGF-RQWLYIOSSA-N
Inchi ID	InChI=1S/C35H35Cl2N3O3S/c1-39(35(42)31-18-23(21-38)17-27-19-28(41)8-9-29(27)31)22-26(25-7-10-32(36)33(37)20-25)13-16-40-14-11-24(12-15-40)30-5-3-4-6-34(30)44(2)43/h3-10,17-20,24,26,41H,11-16,22H2,1-2H3/t26-,44+/m1/s1
PubChem CID	11017711
ChEMBL	CHEMBL129117
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
138441	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
138440	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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