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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
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GPCR

Name	Free fatty acid receptor 2
Species	Homo sapiens (Human)
Gene	FFAR2
Synonym	FFA2R G protein-coupled receptor 43 G-protein coupled receptor 43 GPCR3 GPR43 FFA2 receptor [ Show all ]
Disease	Abortion Diabetes
Length	330
Amino acid sequence	MLPDWKSSLILMAYIIIFLTGLPANLLALRAFVGRIRQPQPAPVHILLLSLTLADLLLLLLLPFKIIEAASNFRWYLPKVVCALTSFGFYSSIYCSTWLLAGISIERYLGVAFPVQYKLSRRPLYGVIAALVAWVMSFGHCTIVIIVQYLNTTEQVRSGNEITCYENFTDNQLDVVLPVRLELCLVLFFIPMAVTIFCYWRFVWIMLSQPLVGAQRRRRAVGLAVVTLLNFLVCFGPYNVSHLVGYHQRKSPWWRSIAVVFSSLNASLDPLLFYFSSSVVRRAFGRGLQVLRNQGSSLLGRRGKDTAEGTNEDRGVGQGEGMPSSDFTTE
UniProt	O15552
Protein Data Bank	N/A
GPCR-HGmod model	O15552
3D structure model	This predicted structure model is from GPCR-EXP O15552.
BioLiP	N/A
Therapeutic Target Database	T28213
ChEMBL	CHEMBL5493
IUPHAR	226
DrugBank	N/A

Ligand

Name	4-CMTB
Molecular formula	C14H15ClN2OS
IUPAC name	2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
Molecular weight	294.797
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.1
Synonyms	2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide AC1N7SQ9 CHEMBL610463 MLS001018069 4-chloro-?-(1-methylethyl)-N-2-thiazolylbenzeneacetamide AKOS016375538 Enamine_000061 SCHEMBL16369644 4-CMTB, >=98% (HPLC) CHEBI:113043 HMS2644I21 SR-01000025543-1 2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide AC1Q1O0T cid_4307629 MolPort-000-514-794 4-chloro-alpha-(1-methylethyl)-N-2-thiazolylbenzeneacetamide AOB5572 GTPL5500 SMR000354300 MCULE-6415878091 Z28173527 300851-67-6 AKOS001033996 D0I3EQ Oprea1_875848 BDBM50305973 HMS1394C17 SR-01000025543 [ Show all ]
Inchi Key	AZYDQCGCBQYFSE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)
PubChem CID	4307629
ChEMBL	CHEMBL610463
IUPHAR	N/A
BindingDB	50305973
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Efficacy	98.0 %	PMID20005104	ChEMBL
IC50	800.0 nM	PMID20005104	BindingDB,ChEMBL

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