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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	CHEMBL3799563
Molecular formula	C46H67N13O10
IUPAC name	(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Molecular weight	962.123
Hydrogen bond acceptor	13
Hydrogen bond donor	11
XlogP	-1.4
Synonyms	BDBM50164806
Inchi Key	AQJDAJIMJIJQME-RUPCYPOASA-N
Inchi ID	InChI=1S/C46H67N13O10/c47-14-7-17-66-19-21-68-22-20-67-18-8-16-52-40(60)28-69-29-41(61)56-39(25-33-27-51-30-55-33)45(65)59-38(23-31-9-2-1-3-10-31)44(64)57-36(13-6-15-53-46(49)50)43(63)58-37(42(48)62)24-32-26-54-35-12-5-4-11-34(32)35/h1-5,9-12,26-27,30,36-39,54H,6-8,13-25,28-29,47H2,(H2,48,62)(H,51,55)(H,52,60)(H,56,61)(H,57,64)(H,58,63)(H,59,65)(H4,49,50,53)/t36-,37-,38+,39-/m0/s1
PubChem CID	127047913
ChEMBL	CHEMBL3799563
IUPHAR	N/A
BindingDB	50164806
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
521797	Melanocortin receptor 3	P33033	Mc3r	Mus musculus (Mouse)	323
521795	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
521798	Melanocortin receptor 5	P41149	Mc5r	Mus musculus (Mouse)	325
521796	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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