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GLASS

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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	CHEMBL331202
Molecular formula	C28H32ClN3O3
IUPAC name	1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethane-1,2-dione
Molecular weight	494.032
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.9
Synonyms	BDBM50060723 GMNSKOPBGHCMQS-UHFFFAOYSA-N 1-[1-Methyl-2-[(4-chlorophenoxy)methyl]-1H-indol-3-yl]-2-(1,4'-bipiperidin-1'-yl)-1,2-ethanedione 1-methyl-2-(4-chlorophenoxymethyl)-3-[2-[4-(piperidin-1-yl)piperidin-1-yl]-1,2-ethanedionyl]-1H-indole SCHEMBL7963164 1-[1,4'']Bipiperidinyl-1''-yl-2-[2-(4-chloro-phenoxymethyl)-1-methyl-1H-indol-3-yl]-ethane-1,2-dione [ Show all ]
Inchi Key	GMNSKOPBGHCMQS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H32ClN3O3/c1-30-24-8-4-3-7-23(24)26(25(30)19-35-22-11-9-20(29)10-12-22)27(33)28(34)32-17-13-21(14-18-32)31-15-5-2-6-16-31/h3-4,7-12,21H,2,5-6,13-19H2,1H3
PubChem CID	10625004
ChEMBL	CHEMBL331202
IUPHAR	N/A
BindingDB	50060723
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	440.0 nM	PMID9371234	BindingDB,ChEMBL

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