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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	CHEMBL1775064
Molecular formula	C47H59N13O9
IUPAC name	(2S,5S,8R,11S,14S,17S,20S)-11-(2-amino-2-oxoethyl)-8,17-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-5-(1H-indol-3-ylmethyl)-14-methyl-3,6,9,12,15,18,23-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricosane-20-carboxamide
Molecular weight	950.071
Hydrogen bond acceptor	10
Hydrogen bond donor	12
XlogP	-0.8
Synonyms	N/A
Inchi Key	AFDXFHGCOAOFDA-RLBQVKLDSA-N
Inchi ID	InChI=1S/C47H59N13O9/c1-26-41(64)57-34(21-27-11-4-2-5-12-27)44(67)56-32(40(49)63)18-19-39(62)55-33(17-10-20-52-47(50)51)42(65)59-36(23-29-25-53-31-16-9-8-15-30(29)31)46(69)58-35(22-28-13-6-3-7-14-28)45(68)60-37(24-38(48)61)43(66)54-26/h2-9,11-16,25-26,32-37,53H,10,17-24H2,1H3,(H2,48,61)(H2,49,63)(H,54,66)(H,55,62)(H,56,67)(H,57,64)(H,58,69)(H,59,65)(H,60,68)(H4,50,51,52)/t26-,32-,33-,34-,35+,36-,37-/m0/s1
PubChem CID	54582030
ChEMBL	CHEMBL1775064
IUPHAR	N/A
BindingDB	N/A
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
441874	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
441873	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
441872	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
441871	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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