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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	BDBM50261952
Molecular formula	C23H25BrO4
IUPAC name	2-(6-bromo-3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione
Molecular weight	445.353
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.1
Synonyms	6-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
Inchi Key	ANDZVEBUENPRDH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25BrO4/c1-22(2)8-14(25)20(15(26)9-22)19-13-6-5-12(24)7-17(13)28-18-11-23(3,4)10-16(27)21(18)19/h5-7,19-20H,8-11H2,1-4H3
PubChem CID	91935412
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50261952
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	81.0 nM	PMID18637668	BindingDB
Ki	36.0 nM	PMID18637668	BindingDB

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