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GLASS

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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	MLS000712137
Molecular formula	C19H21N5O3S
IUPAC name	2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
Molecular weight	399.469
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.3
Synonyms	2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenethylacetamide BDBM61829 SMR000281904 2-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]thio]-N-phenethyl-acetamide cid_1175629 2-[1-(3,4-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide AKOS000690597 Oprea1_358649 2-[[1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2-phenylethyl)ethanamide ZINC932355 HMS2697L15 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide ASN 04455669 Oprea1_415798 2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]-N-(2-phenylethyl)acetamide CHEMBL1412141 AC1LM9S9 [ Show all ]
Inchi Key	BQCOODYWNRYBNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N5O3S/c1-26-16-9-8-15(12-17(16)27-2)24-19(21-22-23-24)28-13-18(25)20-11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)
PubChem CID	1175629
ChEMBL	CHEMBL1412141
IUPHAR	N/A
BindingDB	61829
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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