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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	CHEMBL3261378
Molecular formula	C56H67BF2N11O20P3S
IUPAC name	[[(2R,3S,4R,5R)-5-[4-[3-[4-[2-[2-[1-[3-[6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanoylamino]propyl]triazol-4-yl]ethylamino]-2-oxoethoxy]phenyl]propoxyamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight	1388.0
Hydrogen bond acceptor	26
Hydrogen bond donor	10
XlogP	None
Synonyms	MRS4162 BDBM50013029 BODIPY 630/650 conjugate 28 GTPL9469
Inchi Key	IKFGJXBDIZQEHP-NJFIWEGUSA-N
Inchi ID	InChI=1S/C56H67BF2N11O20P3S/c58-57(59)69-41(16-17-42(69)33-43-18-23-46(70(43)57)48-8-5-32-94-48)15-10-39-13-21-45(22-14-39)84-36-51(72)61-26-3-1-2-9-50(71)60-27-6-29-67-34-40(64-66-67)24-28-62-52(73)37-85-44-19-11-38(12-20-44)7-4-31-86-65-49-25-30-68(56(76)63-49)55-54(75)53(74)47(88-55)35-87-92(80,81)90-93(82,83)89-91(77,78)79/h5,8,10-23,25,30,32-34,47,53-55,74-75H,1-4,6-7,9,24,26-29,31,35-37H2,(H,60,71)(H,61,72)(H,62,73)(H,80,81)(H,82,83)(H,63,65,76)(H2,77,78,79)/b15-10+/t47-,53-,54-,55-/m1/s1
PubChem CID	90656230
ChEMBL	CHEMBL3261378
IUPHAR	9469
BindingDB	50013029
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
135256	P2Y purinoceptor 2	P41231	P2RY2	Homo sapiens (Human)	377
135255	P2Y purinoceptor 4	P51582	P2RY4	Homo sapiens (Human)	365
135257	P2Y purinoceptor 6	Q15077	P2RY6	Homo sapiens (Human)	328

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