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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	CHEMBL88455
Molecular formula	C29H34N2O2S2
IUPAC name	N-methyl-N-(2-phenyl-4-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutyl)benzenesulfonamide
Molecular weight	506.723
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.7
Synonyms	AC1LA1HV 1''-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4''-(hexahydropyridine)] N-methyl-N-(2-phenyl-4-spiro[2H-benzothiophene-3,4'-piperidine]-1'-yl-butyl)benzenesulfonamide BDBM50096553 Methyl(2-phenyl-4-spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-10-ylbutyl)(phenylsulfonyl)amine SCHEMBL8331494 N-methyl-N-(2-phenyl-4-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutyl)benzenesulfonamide [ Show all ]
Inchi Key	APZFEOVXGQEKMJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H34N2O2S2/c1-30(35(32,33)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-34-28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3
PubChem CID	479835
ChEMBL	CHEMBL88455
IUPHAR	N/A
BindingDB	50096553
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
11476	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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