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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	MLS000849526
Molecular formula	C30H51N5O8
IUPAC name	tert-butyl (2S)-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Molecular weight	609.765
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	4.6
Synonyms	CHEMBL1496143 SMR000463883 HMS2194A14
Inchi Key	AGHVQWLBIQDRAA-PMACEKPBSA-N
Inchi ID	InChI=1S/C30H51N5O8/c1-18(2)16-20(26(39)42-29(6,7)8)35-24(37)22-21(32-17-33-22)23(36)34-19(25(38)41-28(3,4)5)14-12-13-15-31-27(40)43-30(9,10)11/h17-20H,12-16H2,1-11H3,(H,31,40)(H,32,33)(H,34,36)(H,35,37)/t19-,20-/m0/s1
PubChem CID	16746573
ChEMBL	CHEMBL1496143
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
4886	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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