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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	MLS000080863
Molecular formula	C14H20N2O3S
IUPAC name	(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
Molecular weight	296.385
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.3
Synonyms	(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-(methylthio)butyric acid AKOS010436956 N-[(2,4-dimethylphenyl)carbamoyl]-L-methionine (2S)-2-[[(2,4-dimethylanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid cid_664998 STK579629 AC1LDCU6 (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid BDBM30780 Opera_ID_1681 HMS2185J21 ZINC2435076 AKOS005503752 MolPort-002-655-894 (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid CHEMBL1577713 SMR000045900 958960-83-3 MCULE-3342499640 [ Show all ]
Inchi Key	AAOBSPUWTDJXRC-LBPRGKRZSA-N
Inchi ID	InChI=1S/C14H20N2O3S/c1-9-4-5-11(10(2)8-9)15-14(19)16-12(13(17)18)6-7-20-3/h4-5,8,12H,6-7H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
PubChem CID	664998
ChEMBL	N/A
IUPHAR	N/A
BindingDB	30780
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
376	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422

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