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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	CHEMBL3578001
Molecular formula	C78H103N21O19S2
IUPAC name	[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(4R,7S,10S,13S,16S,19S,22R)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-10-(2-amino-2-oxoethyl)-7,13,16-tribenzyl-19-(3-carbamimidamidopropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamic acid
Molecular weight	1702.93
Hydrogen bond acceptor	23
Hydrogen bond donor	25
XlogP	-0.9
Synonyms	BDBM50089419
Inchi Key	CADGUJRMKNUYDE-XQFOLYGRSA-N
Inchi ID	InChI=1S/C78H103N21O19S2/c1-41(64(105)89-51(63(80)104)21-13-31-85-76(81)82)87-67(108)53(36-47-23-27-49(101)28-24-47)95-74(115)60-40-120-119-39-59(97-70(111)54(37-48-25-29-50(102)30-26-48)91-65(106)42(2)88-75(116)62(43(3)100)99-78(117)118)73(114)90-52(22-14-32-86-77(83)84)66(107)92-55(33-44-15-7-4-8-16-44)68(109)93-56(34-45-17-9-5-10-18-45)69(110)96-58(38-61(79)103)72(113)94-57(71(112)98-60)35-46-19-11-6-12-20-46/h4-12,15-20,23-30,41-43,51-60,62,99-102H,13-14,21-22,31-40H2,1-3H3,(H2,79,103)(H2,80,104)(H,87,108)(H,88,116)(H,89,105)(H,90,114)(H,91,106)(H,92,107)(H,93,109)(H,94,113)(H,95,115)(H,96,110)(H,97,111)(H,98,112)(H,117,118)(H4,81,82,85)(H4,83,84,86)/t41-,42-,43+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-/m0/s1
PubChem CID	122178172
ChEMBL	CHEMBL3578001
IUPHAR	N/A
BindingDB	50089419
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
467501	Melanocortin receptor 3	P33033	Mc3r	Mus musculus (Mouse)	323
467502	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
467504	Melanocortin receptor 5	P41149	Mc5r	Mus musculus (Mouse)	325
467503	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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