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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	CHEMBL53876
Molecular formula	C15H10ClN3O4S
IUPAC name	6-(4-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine
Molecular weight	363.772
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.8
Synonyms	SCHEMBL8986344 6-(4-Chloro-benzenesulfonyl)-5-nitro-quinolin-8-ylamine BDBM50287532
Inchi Key	AHBIRRDIHJEYDS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10ClN3O4S/c16-9-3-5-10(6-4-9)24(22,23)13-8-12(17)14-11(2-1-7-18-14)15(13)19(20)21/h1-8H,17H2
PubChem CID	15383696
ChEMBL	CHEMBL53876
IUPHAR	N/A
BindingDB	50287532
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	1750.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:15:1809	BindingDB,ChEMBL

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