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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	MLS000680598
Molecular formula	C19H24BrNO
IUPAC name	N-benzyl-4-(2-bromo-4-methylphenoxy)-N-methylbutan-1-amine
Molecular weight	362.311
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.2
Synonyms	cid_2934899 N-benzyl-4-(2-bromo-4-methylphenoxy)-N-methyl-1-butanamine oxalate benzyl-[4-(2-bromo-4-methyl-phenoxy)butyl]-methyl-amine;oxalic acid SMR000272571 4-(2-bromanyl-4-methyl-phenoxy)-N-methyl-N-(phenylmethyl)butan-1-amine;ethanedioic acid MCULE-6036703468 AC1M34FI N-benzyl-4-(2-bromo-4-methylphenoxy)-N-methylbutan-1-amine CHEMBL1622175 ZINC2823124 4-(2-bromo-4-methylphenoxy)-N-methyl-N-(phenylmethyl)-1-butanamine;oxalic acid BDBM42565 N-benzyl-4-(2-bromo-4-methylphenoxy)-N-methylbutan-1-amine;oxalic acid [ Show all ]
Inchi Key	AEWAFEBQAPEWDL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24BrNO/c1-16-10-11-19(18(20)14-16)22-13-7-6-12-21(2)15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3
PubChem CID	2182602
ChEMBL	N/A
IUPHAR	N/A
BindingDB	42565
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	8329.0 nM	N/A	BindingDB

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