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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	SMR000221562
Molecular formula	C18H23N3S
IUPAC name	N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propan-1-amine
Molecular weight	313.463
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.8
Synonyms	N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propan-1-amine CHEMBL1386511 AC1M0G9N dimethyl-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]propyl]amine MLS000332122 CHEBI:115488 N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]-1-propanamine cid_1998473 STK588424 AKOS005510716 HMS2599H13 MolPort-002-607-403 REGID_for_CID_1998473 844448-99-3 Dimethyl-[3-(2-phenyl-6,7-dihydro-5H-cyclopentapyrimidin-4-ylsulfanyl)-propyl]-amine MCULE-5439410210 ZINC2400421 BDBM42533 [ Show all ]
Inchi Key	AZYBPQSWPOOMFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H23N3S/c1-21(2)12-7-13-22-18-15-10-6-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
PubChem CID	1998473
ChEMBL	CHEMBL1386511
IUPHAR	N/A
BindingDB	42533
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	7326.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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