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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	CHEMBL440944
Molecular formula	C24H26ClN3O2
IUPAC name	(1R)-1-(4-chlorophenoxy)-9-methyl-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-carbazol-4-one
Molecular weight	423.941
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50422844
Inchi Key	BUBAWRGTUJWAJK-BPGUCPLFSA-N
Inchi ID	InChI=1S/C24H26ClN3O2/c1-26-11-13-28(14-12-26)20-15-21(30-17-9-7-16(25)8-10-17)23-22(24(20)29)18-5-3-4-6-19(18)27(23)2/h3-10,20-21H,11-15H2,1-2H3/t20?,21-/m1/s1
PubChem CID	44409191
ChEMBL	CHEMBL440944
IUPHAR	N/A
BindingDB	50422844
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	25118.9 nM	PMID16364642	ChEMBL
IC50	25119.0 nM	PMID16364642	BindingDB

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