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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	CHEMBL3577986
Molecular formula	C54H66N12O9
IUPAC name	2-[(3R,9S,12S,15S,18S,24S,27S)-9,18-dibenzyl-24-[3-(diaminomethylideneamino)propyl]-12-methyl-21-(naphthalen-1-ylmethyl)-2,8,11,14,17,20,23,26-octaoxo-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontan-15-yl]acetamide
Molecular weight	1027.2
Hydrogen bond acceptor	10
Hydrogen bond donor	9
XlogP	1.9
Synonyms	BDBM50089404
Inchi Key	CUCIWQUVTBPPBH-JHQNEBCVSA-N
Inchi ID	InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-16-6-3-7-17-34)52(74)66-27-13-24-44(66)53(75)65-26-12-23-43(65)51(73)60-38(22-11-25-58-54(56)57)47(69)62-40(30-36-20-10-19-35-18-8-9-21-37(35)36)50(72)61-39(28-33-14-4-2-5-15-33)49(71)63-41(31-45(55)67)48(70)59-32/h2-10,14-21,32,38-44H,11-13,22-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,72)(H,62,69)(H,63,71)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1
PubChem CID	122178157
ChEMBL	CHEMBL3577986
IUPHAR	N/A
BindingDB	50089404
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
469158	Melanocortin receptor 3	P33033	Mc3r	Mus musculus (Mouse)	323
469160	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
469161	Melanocortin receptor 5	P41149	Mc5r	Mus musculus (Mouse)	325
469159	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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