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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	CHEMBL224277
Molecular formula	C53H73N15O11
IUPAC name	2-[(3S,6S,9R,12S,16S,24S)-16-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-24-carbamoyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,18-hexaoxo-1,4,7,10,13,19-hexazacyclotetracos-15-yl]acetic acid
Molecular weight	1096.26
Hydrogen bond acceptor	13
Hydrogen bond donor	14
XlogP	-0.5
Synonyms	BDBM50158406
Inchi Key	BOKVGYPHNIKRLQ-DEHKQVQUSA-N
Inchi ID	InChI=1S/C53H73N15O11/c1-3-4-16-38(62-30(2)69)48(75)65-40-26-44(70)58-20-11-10-18-37(46(54)73)63-51(78)42(23-32-27-60-36-17-9-8-15-34(32)36)68-49(76)39(19-12-21-59-53(55)56)64-50(77)41(22-31-13-6-5-7-14-31)67-52(79)43(24-33-28-57-29-61-33)66-47(74)35(40)25-45(71)72/h5-9,13-15,17,27-29,35,37-43,60H,3-4,10-12,16,18-26H2,1-2H3,(H2,54,73)(H,57,61)(H,58,70)(H,62,69)(H,63,78)(H,64,77)(H,65,75)(H,66,74)(H,67,79)(H,68,76)(H,71,72)(H4,55,56,59)/t35?,37-,38-,39-,40-,41+,42-,43-/m0/s1
PubChem CID	44421514
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50158406
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.

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
28884	Melanocortin receptor 3	P33033	Mc3r	Mus musculus (Mouse)	323
28883	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
28885	Melanocortin receptor 5	P41149	Mc5r	Mus musculus (Mouse)	325
28882	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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