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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	CHEMBL2096728
Molecular formula	C77H89N19O16
IUPAC name	(5S,8S,11S,14S,17S,20R,23S,26S)-1-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-11-(2-amino-2-oxoethyl)-5-benzyl-17-(3-carbamimidamidopropyl)-23-(1H-imidazol-5-ylmethyl)-14-(1H-indol-3-ylmethyl)-2,8-dimethyl-20-(naphthalen-2-ylmethyl)-4,7,10,13,16,19,22,25,28-nonaoxo-1,3,6,9,12,15,18,21,24-nonazacyclooctacosane-2-carboxylic acid
Molecular weight	1536.68
Hydrogen bond acceptor	19
Hydrogen bond donor	20
XlogP	-1.1
Synonyms	BDBM50410411
Inchi Key	FMLOYHHQNWSDOJ-ZJEFCHKESA-N
Inchi ID	InChI=1S/C77H89N19O16/c1-41-66(102)89-57(31-42-11-4-3-5-12-42)74(110)95-77(2,75(111)112)96(62(65(80)101)33-44-21-26-51(98)27-22-44)64(100)37-61(90-67(103)53(78)30-43-19-24-50(97)25-20-43)73(109)93-59(35-49-39-83-40-86-49)72(108)91-56(32-45-18-23-46-13-6-7-14-47(46)29-45)70(106)88-55(17-10-28-84-76(81)82)68(104)92-58(34-48-38-85-54-16-9-8-15-52(48)54)71(107)94-60(36-63(79)99)69(105)87-41/h3-9,11-16,18-27,29,38-41,53,55-62,85,97-98H,10,17,28,30-37,78H2,1-2H3,(H2,79,99)(H2,80,101)(H,83,86)(H,87,105)(H,88,106)(H,89,102)(H,90,103)(H,91,108)(H,92,104)(H,93,109)(H,94,107)(H,95,110)(H,111,112)(H4,81,82,84)/t41-,53-,55-,56+,57-,58-,59-,60-,61-,62-,77?/m0/s1
PubChem CID	91900711
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50410411
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
82020	Melanocortin receptor 5	P41149	Mc5r	Mus musculus (Mouse)	325
82019	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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