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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	BDBM50427692
Molecular formula	C80H96N18O15S3
IUPAC name	(2S,5S,8S,11S,14R,19R,22S,25R,28S,34S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-19-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(2-amino-2-oxoethyl)-11,22,25-tribenzyl-34-[3-(diaminomethylideneamino)propyl]-2-(1H-indol-3-ylmethyl)-8-methyl-3,6,9,12,20,23,26,32,36-nonaoxo-16,17,30-trithia-1,4,7,10,13,21,24,27,35-nonazabicyclo[26.4.4]hexatriacontane-14-carboxamide
Molecular weight	1645.94
Hydrogen bond acceptor	20
Hydrogen bond donor	18
XlogP	2.1
Synonyms	N/A
Inchi Key	GZWGEWCWRAMJIB-TWLSXMBOSA-N
Inchi ID	InChI=1S/C80H96N18O15S3/c1-45-70(104)91-59(34-46-14-5-2-6-15-46)74(108)97-65(77(111)90-58(69(83)103)33-50-25-29-54(100)30-26-50)43-116-115-42-64(95-71(105)56(81)32-49-23-27-53(99)28-24-49)78(112)93-60(35-47-16-7-3-8-17-47)73(107)92-61(36-48-18-9-4-10-19-48)75(109)96-63-41-114-44-68(102)98(40-52(89-76(63)110)20-13-31-86-80(84)85)66(37-51-39-87-57-22-12-11-21-55(51)57)79(113)94-62(38-67(82)101)72(106)88-45/h2-12,14-19,21-30,39,45,52,56,58-66,87,99-100H,13,20,31-38,40-44,81H2,1H3,(H2,82,101)(H2,83,103)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,107)(H,93,112)(H,94,113)(H,95,105)(H,96,109)(H,97,108)(H4,84,85,86)/t45-,52-,56-,58-,59-,60-,61+,62-,63+,64-,65-,66-/m0/s1
PubChem CID	91899989
ChEMBL	CHEMBL2323789
IUPHAR	N/A
BindingDB	50427692
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
109525	Melanocortin receptor 3	P33033	Mc3r	Mus musculus (Mouse)	323
109526	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
109527	Melanocortin receptor 5	P41149	Mc5r	Mus musculus (Mouse)	325
109524	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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