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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	MLS000685650
Molecular formula	C16H12N2O3S2
IUPAC name	(5Z)-3-anilino-5-[(3,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight	344.403
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.1
Synonyms	MolPort-000-501-284 AC1LUH6U ZINC1269285 (5Z)-3-anilino-5-[(3,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one HMS2620J17 (5Z)-5-[[3,4-bis(oxidanyl)phenyl]methylidene]-3-phenylazanyl-2-sulfanylidene-1,3-thiazolidin-4-one SMR000312614 (5Z)-3-anilino-5-(3,4-dihydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one AKOS001598560 (5Z)-3-anilino-5-[(3,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone CHEMBL1575649 STL035268 (5Z)-3-anilino-5-(3,4-dihydroxybenzylidene)-2-thioxo-thiazolidin-4-one BDBM47430 (5Z)-5-(3,4-dihydroxybenzylidene)-3-(phenylamino)-2-thioxo-1,3-thiazolidin-4-one cid_1630995 [ Show all ]
Inchi Key	ATKORQIIELSXJL-ZROIWOOFSA-N
Inchi ID	InChI=1S/C16H12N2O3S2/c19-12-7-6-10(8-13(12)20)9-14-15(21)18(16(22)23-14)17-11-4-2-1-3-5-11/h1-9,17,19-20H/b14-9-
PubChem CID	1630995
ChEMBL	CHEMBL1575649
IUPHAR	N/A
BindingDB	47430
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	<11810.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
EC50	<35430.0 nM	PubChem BioAssay data set	ChEMBL
EC50	35430.0 nM	N/A	BindingDB

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