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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	MLS001242636
Molecular formula	C31H51N3
IUPAC name	(2S)-2-N-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-1-N-methylpropane-1,2-diamine
Molecular weight	465.77
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	7.9
Synonyms	HMS2220N24 (2S)-N2-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenyl-propyl]-3-cyclohexyl-N1-methyl-propane-1,2-diamine SMR000673953 CHEMBL1491847 (2S)-N2-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-N1-methylpropane-1,2-diamine BDBM51930 cid_24792594 (2S)-2-N-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-1-N-methylpropane-1,2-diamine 2-(1-adamantyl)ethyl-[(1S)-1-benzyl-2-[[(1S)-1-(cyclohexylmethyl)-2-(methylamino)ethyl]amino]ethyl]amine REGID_for_CID_24792594 [ Show all ]
Inchi Key	GQKCBYFGTYNZCM-XGGBRTKESA-N
Inchi ID	InChI=1S/C31H51N3/c1-32-22-29(17-24-8-4-2-5-9-24)34-23-30(18-25-10-6-3-7-11-25)33-13-12-31-19-26-14-27(20-31)16-28(15-26)21-31/h3,6-7,10-11,24,26-30,32-34H,2,4-5,8-9,12-23H2,1H3/t26?,27?,28?,29-,30-,31?/m0/s1
PubChem CID	24792594
ChEMBL	CHEMBL1491847
IUPHAR	N/A
BindingDB	51930
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
102690	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
102691	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
475612	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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