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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	CHEMBL1201994
Molecular formula	C74H92N10O22
IUPAC name	11-[2-[(2-methoxyphenyl)methyl-[6-[8-[6-[(2-methoxyphenyl)methyl-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexyl]amino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;oxalic acid
Molecular weight	1473.6
Hydrogen bond acceptor	28
Hydrogen bond donor	10
XlogP	None
Synonyms	N/A
Inchi Key	GOHNNHJUJHBHKL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C66H84N10O6.4C2H2O4/c1-71(43-23-9-11-25-45-73(47-51-29-13-19-37-59(51)81-3)49-61(77)75-57-35-17-15-31-53(57)65(79)69-55-33-27-39-67-63(55)75)41-21-7-5-6-8-22-42-72(2)44-24-10-12-26-46-74(48-52-30-14-20-38-60(52)82-4)50-62(78)76-58-36-18-16-32-54(58)66(80)70-56-34-28-40-68-64(56)76;43-1(4)2(5)6/h13-20,27-40H,5-12,21-26,41-50H2,1-4H3,(H,69,79)(H,70,80);4(H,3,4)(H,5,6)
PubChem CID	49859829
ChEMBL	CHEMBL1201994
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
101220	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
101218	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
101219	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
101221	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589

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