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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	CHEMBL604277
Molecular formula	C26H28N2O4S2
IUPAC name	4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]-N-prop-2-enylbenzenesulfonamide
Molecular weight	496.64
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.4
Synonyms	SBB057090 AC1MQKQY [(4-methylphenyl)sulfonyl](2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}pheny l)prop-2-enylamine N,N''-(1,2-phenylene)bis(N-allyl-4-methylbenzenesulfonamide) 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]-N-prop-2-enylbenzenesulfonamide AKOS024364667 ST50997002 N,N'-Diallyl-N,N'-ditosyl-1,2-benzenediamine BDBM50305737 ZINC2573080 MCULE-3639320640 [ Show all ]
Inchi Key	WLHVFPKZYDQKGS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
PubChem CID	3453336
ChEMBL	CHEMBL604277
IUPHAR	N/A
BindingDB	50305737
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
376191	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368
376190	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352
376188	C5a anaphylatoxin chemotactic receptor 1	P21730	C5AR1	Homo sapiens (Human)	350
376192	C5a anaphylatoxin chemotactic receptor 1	P97520	C5ar1	Rattus norvegicus (Rat)	352
376189	P2Y purinoceptor 2	P41231	P2RY2	Homo sapiens (Human)	377

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