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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	CHEMBL79504
Molecular formula	C29H32Cl2N2O3S2
IUPAC name	N-[(2S)-2-(3,4-dichlorophenyl)-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methylbenzenesulfonamide
Molecular weight	591.606
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.5
Synonyms	1''-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4''-(hexahydropyridine)] 10-{(3S)-3-(3,4-Dichlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl}spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-1-one (2S)-2-(3,4-dichlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide BDBM50096515 1'-[(3S)-3-(3,4-Dichlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl]spiro[1-benzothiophene-3(2H),4'-piperidine]1-oxide N-[(2S)-2-(3,4-dichlorophenyl)-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methylbenzenesulfonamide 1''-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[1-oxo-2,3-dihydrobenzo[b]thiophene-3,4''-(hexahydropyridine)] 1-oxo-1''-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4''-(hexahydropyridine)] N-[(2S)-2-(3,4-dichlorophenyl)-4-(1-oxospiro[2H-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methyl-benzenesulfonamide AC1LAMJR [ Show all ]
Inchi Key	AKMPPEHIIYDFBC-FIPDIQNESA-N
Inchi ID	InChI=1S/C29H32Cl2N2O3S2/c1-32(38(35,36)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-37(34)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-,37?/m1/s1
PubChem CID	471179
ChEMBL	CHEMBL79504
IUPHAR	N/A
BindingDB	50096515
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
7699	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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