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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	CHEMBL3421680
Molecular formula	C34H42N12O5
IUPAC name	(2S)-2-[[(2R)-2-[(7S)-7-acetamido-6-oxo-7,8-dihydro-4H-triazolo[1,5-a][1,4]diazepin-5-yl]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight	698.789
Hydrogen bond acceptor	8
Hydrogen bond donor	7
XlogP	-0.9
Synonyms	BDBM50080878
Inchi Key	BVHVEJVRGYHQTC-XFTNXAEASA-N
Inchi ID	InChI=1S/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/m0/s1
PubChem CID	118735103
ChEMBL	CHEMBL3421680
IUPHAR	N/A
BindingDB	50080878
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. 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
442970	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
442971	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
442972	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
442973	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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