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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	CHEMBL1803054
Molecular formula	C50H72N10O5
IUPAC name	1-[[3-methoxy-4-[3-[1-[8-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]octyl]triazol-4-yl]propoxy]phenyl]methyl]-4-methylpiperazine
Molecular weight	893.191
Hydrogen bond acceptor	13
Hydrogen bond donor	0
XlogP	7.2
Synonyms	BDBM50347627
Inchi Key	CAQUTUYOOHXKBM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C50H72N10O5/c1-55-25-27-56(28-26-55)37-41-19-21-47(49(35-41)62-3)64-33-13-15-43-39-59(53-51-43)23-11-7-5-6-8-12-24-60-40-44(52-54-60)16-14-34-65-48-22-20-42(36-50(48)63-4)38-57-29-31-58(32-30-57)45-17-9-10-18-46(45)61-2/h9-10,17-22,35-36,39-40H,5-8,11-16,23-34,37-38H2,1-4H3
PubChem CID	53363201
ChEMBL	CHEMBL1803054
IUPHAR	N/A
BindingDB	50347627
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. 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
37446	D(1A) dopamine receptor	P50130	DRD1	Sus scrofa (Pig)	446
37445	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
37447	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
522643	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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