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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL470495
Molecular formula	C30H35N5O4
IUPAC name	(2R)-5-[[amino-(propanoylamino)methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
Molecular weight	529.641
Hydrogen bond acceptor	5
Hydrogen bond donor	5
XlogP	3.7
Synonyms	(R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl)-N-omega-propanoylargininamide BDBM50246646
Inchi Key	DTIOXMCBTYZRGU-RUZDIDTESA-N
Inchi ID	InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1
PubChem CID	25181112
ChEMBL	CHEMBL470495
IUPHAR	N/A
BindingDB	50246646
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.239 nM	PMID19053784	ChEMBL
Kb	0.8 nM	PMID19053784	ChEMBL
Kd	1.1 nM	PMID19053784	BindingDB
Kd	1.2 nM	PMID19053784	BindingDB,ChEMBL
Kd	2.9 nM	PMID19053784	BindingDB
Ki	1.0 nM	PMID19053784	BindingDB,ChEMBL
Ki	1.2 nM	PMID19053784	BindingDB,ChEMBL
pKb	9.1 -	PMID19053784	ChEMBL

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