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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	TAK-779
Molecular formula	C33H39ClN2O2
IUPAC name	dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium;chloride
Molecular weight	531.137
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	None
Synonyms	N,N-dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)-N-(4-tetrahydropyranyl)ammonium chloride VDALIBWXVQVFGZ-UHFFFAOYSA-N 4079AH CS-2026 EX-A1924 SCHEMBL48548 BCP28073 LS-184219 2H-Oyran-4-aminium, N-((4-(((6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl)carbonyl)amino)phenyl)methyl)tetrahydro-N,N-dimethyl- N,N-Dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium chloride AC1L4DMK dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium chloride HY-13406 TAK 779 BQW1Y9KIIP N,N-dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)-N-(4-tetrahydropyranyl)-ammonium chloride UNII-BQW1Y9KIIP 2H-Pyran-4-aminium, N,N-dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-, chloride CHEMBL41275 E-921 N,N-Dimethyl-N-(4-(2-(p-tolyl)-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride AKOS027307809 KB-80795 TAK 799 229005-80-5 C33H39N2O2.Cl [ Show all ]
Inchi Key	VDALIBWXVQVFGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H38N2O2.ClH/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32;/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3;1H
PubChem CID	183789
ChEMBL	CHEMBL41275
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
352091	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
352088	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374
506447	C-C chemokine receptor type 2	P51683	Ccr2	Mus musculus (Mouse)	373
352089	C-C chemokine receptor type 3	P51677	CCR3	Homo sapiens (Human)	355
352092	C-C chemokine receptor type 4	P51679	CCR4	Homo sapiens (Human)	360
352090	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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