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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	CID 44363975
Molecular formula	C73H98N22O13S2
IUPAC name	(4R,7S,10S,13R,16S,22S)-22-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-4-ylmethyl)-7-(1H-indol-3-ylmethyl)-23,23-dimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide
Molecular weight	1555.85
Hydrogen bond acceptor	19
Hydrogen bond donor	20
XlogP	-0.2
Synonyms	N/A
Inchi Key	AVXIGOUSBQQJBP-YEUVXTHWSA-N
Inchi ID	InChI=1S/C73H98N22O13S2/c1-40(2)59(94-61(99)48(74)29-43-23-25-46(96)26-24-43)69(107)95-60-70(108)85-37-58(98)87-55(33-45-35-80-39-86-45)67(105)91-53(31-42-17-9-6-10-18-42)65(103)88-50(21-13-27-81-71(76)77)64(102)92-54(32-44-34-83-49-20-12-11-19-47(44)49)66(104)93-56(38-109-110-73(60,3)4)68(106)89-51(22-14-28-82-72(78)79)63(101)90-52(62(100)84-36-57(75)97)30-41-15-7-5-8-16-41/h5-12,15-20,23-26,34-35,39-40,48,50-56,59-60,83,96H,13-14,21-22,27-33,36-38,74H2,1-4H3,(H2,75,97)(H,80,86)(H,84,100)(H,85,108)(H,87,98)(H,88,103)(H,89,106)(H,90,101)(H,91,105)(H,92,102)(H,93,104)(H,94,99)(H,95,107)(H4,76,77,81)(H4,78,79,82)/t48-,50-,51-,52-,53+,54-,55-,56-,59-,60-/m0/s1
PubChem CID	44363975
ChEMBL	CHEMBL409049
IUPHAR	N/A
BindingDB	50134944
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
15742	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
15741	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
15743	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325

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