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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	CHEMBL3261377
Molecular formula	C63H89N12O27P3S2
IUPAC name	2-(3-amino-6-imino-4,5-disulfoxanthen-9-yl)-5-[6-[4-[2-[[2-[4-[3-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]oxypropyl]phenoxy]acetyl]amino]ethyl]triazol-1-yl]hexylcarbamoyl]benzoic acid;N,N-diethylethanamine
Molecular weight	1603.5
Hydrogen bond acceptor	33
Hydrogen bond donor	14
XlogP	None
Synonyms	N/A
Inchi Key	CYHLQEIGNQACKC-FDZRIHCXSA-N
Inchi ID	InChI=1S/C51H59N10O27P3S2.2C6H15N/c52-36-15-13-33-41(34-14-16-37(53)47(93(79,80)81)45(34)86-44(33)46(36)92(76,77)78)32-12-9-29(24-35(32)50(66)67)48(65)55-19-3-1-2-4-21-60-25-30(57-59-60)17-20-54-40(62)27-82-31-10-7-28(8-11-31)6-5-23-83-58-39-18-22-61(51(68)56-39)49-43(64)42(63)38(85-49)26-84-90(72,73)88-91(74,75)87-89(69,70)71;21-4-7(5-2)6-3/h7-16,18,22,24-25,38,42-43,49,52,63-64H,1-6,17,19-21,23,26-27,53H2,(H,54,62)(H,55,65)(H,66,67)(H,72,73)(H,74,75)(H,56,58,68)(H2,69,70,71)(H,76,77,78)(H,79,80,81);24-6H2,1-3H3/t38-,42-,43-,49-;;/m1../s1
PubChem CID	118705724
ChEMBL	CHEMBL3261377
IUPHAR	N/A
BindingDB	50013028
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
53513	P2Y purinoceptor 2	P41231	P2RY2	Homo sapiens (Human)	377
53515	P2Y purinoceptor 4	P51582	P2RY4	Homo sapiens (Human)	365
53514	P2Y purinoceptor 6	Q15077	P2RY6	Homo sapiens (Human)	328

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