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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 44368824
Molecular formula	C76H106N16O18S2
IUPAC name	(3S)-3-[[(2S)-2-[[(2S)-2-[[(4S,7R,10S,13R,22S,25R)-25-amino-7-benzyl-22-(hydroxymethyl)-10-[(4-hydroxyphenyl)methyl]-6,9,12,15,21,24-hexaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,20,23-hexazacyclohexacosane-4-carbonyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	1595.9
Hydrogen bond acceptor	22
Hydrogen bond donor	19
XlogP	1.8
Synonyms	N/A
Inchi Key	DOBUMMJIGJNUMP-ANRTWLEFSA-N
Inchi ID	InChI=1S/C76H106N16O18S2/c1-9-42(7)63(74(107)87-57(76(109)110)31-46-34-80-51-21-15-14-20-49(46)51)92-75(108)64(43(8)10-2)91-71(104)56(33-61(96)97)85-67(100)52(28-40(3)4)82-70(103)55(32-47-35-78-39-81-47)84-72(105)59-38-112-111-37-50(77)65(98)88-58(36-93)66(99)79-27-17-16-22-60(95)90-62(41(5)6)73(106)86-54(30-45-23-25-48(94)26-24-45)68(101)83-53(69(102)89-59)29-44-18-12-11-13-19-44/h11-15,18-21,23-26,34-35,39-43,50,52-59,62-64,80,93-94H,9-10,16-17,22,27-33,36-38,77H2,1-8H3,(H,78,81)(H,79,99)(H,82,103)(H,83,101)(H,84,105)(H,85,100)(H,86,106)(H,87,107)(H,88,98)(H,89,102)(H,90,95)(H,91,104)(H,92,108)(H,96,97)(H,109,110)/t42-,43-,50-,52-,53+,54-,55-,56-,57-,58-,59+,62+,63-,64-/m0/s1
PubChem CID	44368824
ChEMBL	CHEMBL265164
IUPHAR	N/A
BindingDB	50284008
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
64870	Endothelin receptor type B	P21451	Ednrb	Rattus norvegicus (Rat)	442
64871	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426
64872	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427

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