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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Neuropeptide Y receptor type 1
Species	Homo sapiens (Human)
Gene	NPY1R
Synonym	neuropeptide Y receptor type 1 NPY-Y1 receptor NPY1-R FC5 Y1 receptor Y1-R [ Show all ]
Disease	Hypertension; Obesity; Heart disease Obesity Eating disorders reduction in food intake obesity anxiety Eating disorders reduction in food intake Eating disorder Cardiovascular disorder Hypertension [ Show all ]
Length	384
Amino acid sequence	MNSTLFSQVENHSVHSNFSEKNAQLLAFENDDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWVFGEAMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFQNVTLDAYKDKYVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKINNNDDNEKI
UniProt	P25929
Protein Data Bank	5zbh
GPCR-HGmod model	P25929
3D structure model	This structure is from PDB ID 5zbh.
BioLiP	BL0411971
Therapeutic Target Database	T89213
ChEMBL	CHEMBL4777
IUPHAR	305
DrugBank	N/A

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	CHEMBL1380897 ZINC2220734 4-[[[3-(2-furfuryl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid MCULE-6442514070 4-({[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid AC1LXMN0 BDBM61842 SMR000415547 4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid cid_1853121 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 4-({[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid AC1Q2E7T STL340562 4-[[[3-(2-furanylmethyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid HMS2758J16 4-(3-Furan-2-ylmethyl-5,6-dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanylmethyl)-benzoic acid MolPort-001-810-345 4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid AKOS022125923 [ 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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