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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.
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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	67572-43-4
Molecular formula	C11H8N2O5S
IUPAC name	2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
Molecular weight	280.254
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.7
Synonyms	cid_1084438 MolPort-002-004-800 {[5-(1,3-BENZODIOXOL-5-YL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETICACID AC1LLHDE EN300-08598 SMR000123879 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid ASN 06347254 MCULE-7001728986 ZINC800919 CTK5C6350 NE12568 {[5-(2H-1,3-Benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid (5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid AC1Q76DE HMS2435I17 SR-01000326242 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]acetic acid BAS 06347254 CHEMBL1462447 MLS000123207 {[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio}acetic acid DTXSID40360150 REGID_for_CID_1084438 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid AKOS000117741 BDBM42488 J-502795 SR-01000326242-1 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid [ Show all ]
Inchi Key	ANWYZYDPQJWUFS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H8N2O5S/c14-9(15)4-19-11-13-12-10(18-11)6-1-2-7-8(3-6)17-5-16-7/h1-3H,4-5H2,(H,14,15)
PubChem CID	1084438
ChEMBL	CHEMBL1462447
IUPHAR	N/A
BindingDB	42488
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<35000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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