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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	SMR000140824
Molecular formula	C15H12Cl3N3O
IUPAC name	N-(3-chloroanilino)-N'-(2,4-dichlorophenyl)-2-oxopropanimidamide
Molecular weight	356.631
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.6
Synonyms	N-[(3-chlorophenyl)amino]-N''-(2,4-dichlorophenyl)-2-oxidanylidene-propanimidamide MCULE-3683405676 AF-886/30751059 MolPort-019-790-252 N-(3-chloroanilino)-N''-(2,4-dichlorophenyl)-2-oxopropanimidamide CHEMBL1482637 MLS000533426 BDBM57123 N'-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-2-oxopropanehydrazonamide N-(3-chloroanilino)-N'-(2,4-dichlorophenyl)-2-oxopropanimidamide cid_1799038 ZINC15985871 AC1LXCO8 MolPort-002-176-307 N-(3-chloroanilino)-N''-(2,4-dichlorophenyl)-2-keto-propionamidine [ Show all ]
Inchi Key	BDIBTQWWJZOREX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H12Cl3N3O/c1-9(22)15(19-14-6-5-11(17)8-13(14)18)21-20-12-4-2-3-10(16)7-12/h2-8,20H,1H3,(H,19,21)
PubChem CID	1799038
ChEMBL	CHEMBL1482637
IUPHAR	N/A
BindingDB	57123
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
EC50	12619.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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