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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	CHEMBL425591
Molecular formula	C47H59N13O7
IUPAC name	(2S,5S,8R,11S,14S,17S)-2-butyl-11-[3-(diaminomethylideneamino)propyl]-5-(1H-imidazol-5-ylmethyl)-14-(1H-indol-3-ylmethyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carboxamide
Molecular weight	918.073
Hydrogen bond acceptor	9
Hydrogen bond donor	11
XlogP	1.9
Synonyms	c[Nle-His-D-Nal(2')-Arg-Trp-Glu]-NH2 D00TSX BDBM50184356 c[Nle-His-D-Nal(2'')-Arg-Trp-Glu]-NH2
Inchi Key	AYKQERUAGGPJLP-WYLITWLFSA-N
Inchi ID	InChI=1S/C47H59N13O7/c1-2-3-12-35-42(63)60-39(23-31-25-51-26-54-31)46(67)58-37(21-27-15-16-28-9-4-5-10-29(28)20-27)44(65)57-36(14-8-19-52-47(49)50)43(64)59-38(22-30-24-53-33-13-7-6-11-32(30)33)45(66)56-34(41(48)62)17-18-40(61)55-35/h4-7,9-11,13,15-16,20,24-26,34-39,53H,2-3,8,12,14,17-19,21-23H2,1H3,(H2,48,62)(H,51,54)(H,55,61)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,63)(H4,49,50,52)/t34-,35-,36-,37+,38-,39-/m0/s1
PubChem CID	11672424
ChEMBL	CHEMBL425591
IUPHAR	N/A
BindingDB	50184356
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
17524	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
17526	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
17527	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
17525	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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