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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	Methoctramine
Molecular formula	C36H62N4O2
IUPAC name	N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine
Molecular weight	582.918
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	6.8
Synonyms	SCHEMBL11982296 3967-44-0 CHEMBL27673 N1,N8-bis(6-(2-methoxybenzylamino)hexyl)octane-1,8-diamine AC1Q57PA J257.584A N,N'-Bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)-1,8-octanediamine NCGC00015626-03 1,8-Octanediamine, N1,N8-bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)- CHEBI:73339 Lopac0_000862 N,N'-Bis[6-[[(2-methoxyphenyl)methyl]amino]hexyl]-1,8-octanediamine NCGC00162283-02 UNII-NVJ76B897D D06UXW Methoctramine free base NCGC00015626-01 BDBM50064176 L000857 N,N'-Bis(6-((2-methoxyphenyl)methylamino)hexyl)octane-1,8-diamine NCGC00015626-04 LS-187525 n,n'-bis{6-[(2-methoxybenzyl)amino]hexyl}octane-1,8-diamine NVJ76B897D ZINC3921860 AC1L1HFG GTPL327 N,N''''-Bis-[6-(2-methoxy-benzylamino)-hexyl]-octane-1,8-diamine NCGC00015626-02 CCG-204944 Lopac-M-105 N,N'-bis[6-[(2-Methoxyphenyl)methylamino]hexyl]octane-1,8-diamine NCGC00162283-01 [ Show all ]
Inchi Key	RPMBYDYUVKEZJA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
PubChem CID	4108
ChEMBL	CHEMBL27673
IUPHAR	327
BindingDB	50064176
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
453683	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
301997	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
302002	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
301994	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
301999	Muscarinic acetylcholine receptor M2	P06199	CHRM2	Sus scrofa (Pig)	466
302001	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
301993	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
301995	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589
301996	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
301998	Muscarinic acetylcholine receptor M4	P08485	Chrm4	Rattus norvegicus (Rat)	478
302004	Muscarinic acetylcholine receptor M4	P17200	CHRM4	Gallus gallus (Chicken)	490
302005	Muscarinic acetylcholine receptor M4	P32211	Chrm4	Mus musculus (Mouse)	479
302006	Muscarinic acetylcholine receptor M4	P41986	CHRM4	Bos taurus (Bovine)	126
302003	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532
302000	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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