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GLASS

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GPCR

Name	Neuropeptide Y receptor type 2
Species	Homo sapiens (Human)
Gene	NPY2R
Synonym	NPY2-R NPY-Y2 receptor neuropeptide Y receptor type 2 Y2 receptor
Disease	Diabetes Metabolic disorders Obesity
Length	381
Amino acid sequence	MGPIGAEADENQTVEEMKVEQYGPQTTPRGELVPDPEPELIDSTKLIEVQVVLILAYCSIILLGVIGNSLVIHVVIKFKSMRTVTNFFIANLAVADLLVNTLCLPFTLTYTLMGEWKMGPVLCHLVPYAQGLAVQVSTITLTVIALDRHRCIVYHLESKISKRISFLIIGLAWGISALLASPLAIFREYSLIEIIPDFEIVACTEKWPGEEKSIYGTVYSLSSLLILYVLPLGIISFSYTRIWSKLKNHVSPGAANDHYHQRRQKTTKMLVCVVVVFAVSWLPLHAFQLAVDIDSQVLDLKEYKLIFTVFHIIAMCSTFANPLLYGWMNSNYRKAFLSAFRCEQRLDAIHSEVSVTFKAKKNLEVRKNSGPNDSFTEATNV
UniProt	P49146
Protein Data Bank	N/A
GPCR-HGmod model	P49146
3D structure model	This predicted structure model is from GPCR-EXP P49146.
BioLiP	N/A
Therapeutic Target Database	T10670
ChEMBL	CHEMBL4018
IUPHAR	306
DrugBank	BE0002419

Ligand

Name	MLS000778774
Molecular formula	C21H18N2O4S2
IUPAC name	4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
Molecular weight	426.505
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.2
Synonyms	4-(3-Furan-2-ylmethyl-5,6-dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanylmethyl)-benzoic acid 573942-82-2 cid_1853121 4-({[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid AC1Q2E7T 4-[[[3-(2-furanylmethyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid STL340562 4-(3-Furan-2-ylmethyl-5,6-dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanylmethyl)-benzoic acid HMS2758J16 4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid AKOS022125923 MolPort-001-810-345 4-[[[3-(2-furfuryl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid CHEMBL1380897 ZINC2220734 4-({[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid AC1LXMN0 MCULE-6442514070 4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid BDBM61842 SMR000415547 [ Show all ]
Inchi Key	AMWHVEURRCUUSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18N2O4S2/c1-12-13(2)29-18-17(12)19(24)23(10-16-4-3-9-27-16)21(22-18)28-11-14-5-7-15(8-6-14)20(25)26/h3-9H,10-11H2,1-2H3,(H,25,26)
PubChem CID	1853121
ChEMBL	CHEMBL1380897
IUPHAR	N/A
BindingDB	61842
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<35430.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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