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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	CHEMBL2431726
Molecular formula	C29H56N10O7
IUPAC name	(2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanamide
Molecular weight	656.83
Hydrogen bond acceptor	9
Hydrogen bond donor	10
XlogP	-1.3
Synonyms	BDBM50440870 LS-191960
Inchi Key	OICKYBUDXYXVQP-JYAZKYGWSA-N
Inchi ID	InChI=1S/C29H56N10O7/c1-7-17(6)23(39-27(45)21(14-40)38-25(43)18(30)11-15(2)3)28(46)35-13-22(41)36-19(9-8-10-34-29(32)33)26(44)37-20(24(31)42)12-16(4)5/h15-21,23,40H,7-14,30H2,1-6H3,(H2,31,42)(H,35,46)(H,36,41)(H,37,44)(H,38,43)(H,39,45)(H4,32,33,34)/t17-,18-,19-,20-,21-,23-/m0/s1
PubChem CID	24848669
ChEMBL	CHEMBL2431726
IUPHAR	N/A
BindingDB	50440870
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
241910	Proteinase-activated receptor 2	Q63645	F2rl1	Rattus norvegicus (Rat)	397

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