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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 5
Species	Homo sapiens (Human)
Gene	NPY5R
Synonym	NPYY5-R NPY5-R NPY-Y5 receptor neuropeptide Y receptor type 5 food intake receptor Y5 receptor [ Show all ]
Disease	Eating disorder; Obesity Eating disorder; Obesity; Diabetes Major depressive disorder Obesity
Length	445
Amino acid sequence	MDLELDEYYNKTLATENNTAATRNSDFPVWDDYKSSVDDLQYFLIGLYTFVSLLGFMGNLLILMALMKKRNQKTTVNFLIGNLAFSDILVVLFCSPFTLTSVLLDQWMFGKVMCHIMPFLQCVSVLVSTLILISIAIVRYHMIKHPISNNLTANHGYFLIATVWTLGFAICSPLPVFHSLVELQETFGSALLSSRYLCVESWPSDSYRIAFTISLLLVQYILPLVCLTVSHTSVCRSISCGLSNKENRLEENEMINLTLHPSKKSGPQVKLSGSHKWSYSFIKKHRRRYSKKTACVLPAPERPSQENHSRILPENFGSVRSQLSSSSKFIPGVPTCFEIKPEENSDVHELRVKRSVTRIKKRSRSVFYRLTILILVFAVSWMPLHLFHVVTDFNDNLISNRHFKLVYCICHLLGMMSCCLNPILYGFLNNGIKADLVSLIHCLHM
UniProt	Q15761
Protein Data Bank	N/A
GPCR-HGmod model	Q15761
3D structure model	This predicted structure model is from GPCR-EXP Q15761.
BioLiP	N/A
Therapeutic Target Database	T20331
ChEMBL	CHEMBL4561
IUPHAR	308
DrugBank	N/A

Ligand

Name	CHEMBL16986
Molecular formula	C22H18ClF4N3O3S
IUPAC name	1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
Molecular weight	515.908
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BDBM50111645 N-[3-(Trifluoromethyl)-4-fluorophenyl]-1-(2-oxo-5-chloro-2,3-dihydrobenzothiazole-3-ylacetyl)-4-piperidinecarboxamide 1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (4-fluoro-3-trifluoromethyl-phenyl)-amide
Inchi Key	BLHGNTABHNCNRQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18ClF4N3O3S/c23-13-1-4-18-17(9-13)30(21(33)34-18)11-19(31)29-7-5-12(6-8-29)20(32)28-14-2-3-16(24)15(10-14)22(25,26)27/h1-4,9-10,12H,5-8,11H2,(H,28,32)
PubChem CID	44271202
ChEMBL	CHEMBL16986
IUPHAR	N/A
BindingDB	50111645
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.59 nM	PMID11934581	BindingDB
IC50	0.59 nM	PMID11934581	ChEMBL
IC50	0.7 nM	PMID11934581	ChEMBL
IC50	0.7 nM	PMID11934581	BindingDB
Inhibition	52.6 %	PMID11934581	ChEMBL
Inhibition	93.2 %	PMID11934581	ChEMBL
Inhibition	97.7 %	PMID11934581	ChEMBL
Inhibition	103.8 %	PMID11934581	ChEMBL

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