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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	SMR000264080
Molecular formula	C23H18ClNO3
IUPAC name	[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
Molecular weight	391.851
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.4
Synonyms	(E)-3-(4-chlorophenyl)acrylic acid [2-keto-2-(2-phenylanilino)ethyl] ester MLS000409048 BDBM42557 [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate cid_2446403 REGID_for_CID_2446403 [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate (E)-3-(4-chlorophenyl)-2-propenoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester HMS2549G19 AC1M7PPI CHEMBL1335124 [ Show all ]
Inchi Key	BMABHLCCGUBBJN-NTCAYCPXSA-N
Inchi ID	InChI=1S/C23H18ClNO3/c24-19-13-10-17(11-14-19)12-15-23(27)28-16-22(26)25-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-15H,16H2,(H,25,26)/b15-12+
PubChem CID	2446403
ChEMBL	CHEMBL1335124
IUPHAR	N/A
BindingDB	42557
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6127.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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