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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	CHEMBL3577998
Molecular formula	C51H68N12O8
IUPAC name	2-[3-[(3R,9S,12S,18S,21S,24S,27S)-15-(3-aminopropyl)-9,18,21-tribenzyl-12-methyl-2,8,11,14,17,20,23,26-octaoxo-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontan-24-yl]propyl]guanidine
Molecular weight	977.181
Hydrogen bond acceptor	10
Hydrogen bond donor	9
XlogP	1.6
Synonyms	BDBM50089416
Inchi Key	DOFWVHHZMVXZDY-JMUIZCTFSA-N
Inchi ID	InChI=1S/C51H68N12O8/c1-32-43(64)61-40(31-35-19-9-4-10-20-35)49(70)63-28-14-24-42(63)50(71)62-27-13-23-41(62)48(69)58-37(22-12-26-55-51(53)54)45(66)59-39(30-34-17-7-3-8-18-34)47(68)60-38(29-33-15-5-2-6-16-33)46(67)57-36(21-11-25-52)44(65)56-32/h2-10,15-20,32,36-42H,11-14,21-31,52H2,1H3,(H,56,65)(H,57,67)(H,58,69)(H,59,66)(H,60,68)(H,61,64)(H4,53,54,55)/t32-,36?,37-,38-,39-,40-,41-,42+/m0/s1
PubChem CID	122178169
ChEMBL	CHEMBL3577998
IUPHAR	N/A
BindingDB	50089416
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

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
470929	Melanocortin receptor 3	P33033	Mc3r	Mus musculus (Mouse)	323
470927	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
470928	Melanocortin receptor 5	P41149	Mc5r	Mus musculus (Mouse)	325
470930	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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