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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	CHEMBL2179458
Molecular formula	C174H174F108N30O12P18
IUPAC name	1-[3-[4-[1-[[3-[[4-[1-[[3,5-bis[[4-[1-[[3,5-bis[[4-[1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyridin-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]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-[[4-[1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-5-methylpyrimidine-2,4-dione;octadecahexafluorophosphate
Molecular weight	5486.86
Hydrogen bond acceptor	138
Hydrogen bond donor	6
XlogP	None
Synonyms	N/A
Inchi Key	IZRYPUTVERTOHV-UHFFFAOYSA-T
Inchi ID	InChI=1S/C174H168N30O12.18F6P/c1-127-109-199(169(211)175-163(127)205)55-7-49-181-61-13-145(14-62-181)151-25-73-187(74-26-151)115-133-97-134(116-188-75-27-152(28-76-188)146-15-63-182(64-16-146)50-8-56-200-110-128(2)164(206)176-170(200)212)101-139(100-133)121-193-85-37-157(38-86-193)160-43-91-196(92-44-160)124-142-106-143(125-197-93-45-161(46-94-197)158-39-87-194(88-40-158)122-140-102-135(117-189-77-29-153(30-78-189)147-17-65-183(66-18-147)51-9-57-201-111-129(3)165(207)177-171(201)213)98-136(103-140)118-190-79-31-154(32-80-190)148-19-67-184(68-20-148)52-10-58-202-112-130(4)166(208)178-172(202)214)108-144(107-142)126-198-95-47-162(48-96-198)159-41-89-195(90-42-159)123-141-104-137(119-191-81-33-155(34-82-191)149-21-69-185(70-22-149)53-11-59-203-113-131(5)167(209)179-173(203)215)99-138(105-141)120-192-83-35-156(36-84-192)150-23-71-186(72-24-150)54-12-60-204-114-132(6)168(210)180-174(204)216;181-7(2,3,4,5)6/h13-48,61-114H,7-12,49-60,115-126H2,1-6H3;;;;;;;;;;;;;;;;;;/q+12;18-1/p+6
PubChem CID	71457283
ChEMBL	CHEMBL2179458
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. 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
145543	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352
145544	C-X-C chemokine receptor type 5	P32302	CXCR5	Homo sapiens (Human)	372

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