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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	CHEMBL2179462
Molecular formula	C138H138F108N18P18
IUPAC name	1-[[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium;octadecahexafluorophosphate
Molecular weight	4658.1
Hydrogen bond acceptor	126
Hydrogen bond donor	0
XlogP	None
Synonyms	N/A
Inchi Key	HKKBKEZSOOICKU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C138H138N18.18F6P/c1-7-139-49-13-121(14-50-139)127-25-61-145(62-26-127)97-109-85-110(98-146-63-27-128(28-64-146)122-15-51-140(8-2)52-16-122)89-115(88-109)103-151-73-37-133(38-74-151)136-43-79-154(80-44-136)106-118-94-119(107-155-81-45-137(46-82-155)134-39-75-152(76-40-134)104-116-90-111(99-147-65-29-129(30-66-147)123-17-53-141(9-3)54-18-123)86-112(91-116)100-148-67-31-130(32-68-148)124-19-55-142(10-4)56-20-124)96-120(95-118)108-156-83-47-138(48-84-156)135-41-77-153(78-42-135)105-117-92-113(101-149-69-33-131(34-70-149)125-21-57-143(11-5)58-22-125)87-114(93-117)102-150-71-35-132(36-72-150)126-23-59-144(12-6)60-24-126;181-7(2,3,4,5)6/h13-96H,7-12,97-108H2,1-6H3;;;;;;;;;;;;;;;;;;/q+18;18-1
PubChem CID	46871630
ChEMBL	CHEMBL2179462
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
117282	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352
117283	C-X-C chemokine receptor type 5	P32302	CXCR5	Homo sapiens (Human)	372

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