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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	SMR000117962
Molecular formula	C24H25N5O4S
IUPAC name	N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2,5-thiadiazole-3-carboxamide
Molecular weight	479.555
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.2
Synonyms	BDBM42417 N-[2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl]-N-piperonyl-1,2,5-thiadiazole-3-carboxamide cid_3200707 REGID_for_CID_3200707 AC1MK95Z N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-1,2,5-thiadiazole-3-carboxamide Oprea1_231547 HMS2299O03 ASN 05304140 N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2,5-thiadiazole-3-carboxamide CHEMBL1609697 Oprea1_282264 MLS000527488 [1,2,5]Thiadiazole-3-carboxylic acid benzo[1,3]dioxol-5-ylmethyl-(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-amide [ Show all ]
Inchi Key	BGSVSADZEMUBIT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25N5O4S/c30-23(27-18-4-2-1-3-5-18)22(17-8-10-25-11-9-17)29(24(31)19-13-26-34-28-19)14-16-6-7-20-21(12-16)33-15-32-20/h6-13,18,22H,1-5,14-15H2,(H,27,30)
PubChem CID	3200707
ChEMBL	CHEMBL1609697
IUPHAR	N/A
BindingDB	42417
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	32170.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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