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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	MLS000582311
Molecular formula	C28H26N2O3S
IUPAC name	3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
Molecular weight	470.587
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	6.0
Synonyms	cid_2223246 N-(biphenyl-2-yl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide SID 17413034 AKOS000378146 MCULE-3226813305 N-[1,1'-Biphenyl]-2-yl-3-[[(2,5-dimethylphenyl)amino]sulfonyl]-4-methyl-benzamide ZINC2870496 MLS002547616 SCHEMBL15919821 824981-55-7 DTXSID60367060 N-2-biphenylyl-3-{[(2,5-dimethylphenyl)amino]sulfonyl}-4-methylbenzamide SMR000200850 API0008524 MFCD06623281 NCGC00485111-01 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide CHEMBL1427860 MolPort-002-283-249 SF-22, >=98% (HPLC) AC1M41AG HMS2442J16 N-[1,1 inverted exclamation marka-Biphenyl]-2-yl-3-[[(2,5-dimethylphenyl)amino]sulfonyl]-4-methyl-benzamide STL100705 BDBM42524 REGID_for_CID_2223246 [ Show all ]
Inchi Key	BWWPVIRXNOWQSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H26N2O3S/c1-19-13-14-20(2)26(17-19)30-34(32,33)27-18-23(16-15-21(27)3)28(31)29-25-12-8-7-11-24(25)22-9-5-4-6-10-22/h4-18,30H,1-3H3,(H,29,31)
PubChem CID	2223246
ChEMBL	CHEMBL1427860
IUPHAR	N/A
BindingDB	42524
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

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

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