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GLASS

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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	MLS000724783
Molecular formula	C18H18ClF2N3O2S2
IUPAC name	4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide
Molecular weight	445.928
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.1
Synonyms	{[3-({[4-(3-chlorophenyl)piperazinyl]thioxomethyl}amino)phenyl]sulfonyl}difluo romethane AC1M2MFU MCULE-9967929023 N-[3-[bis(fluoranyl)methylsulfonyl]phenyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide 4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]-1-piperazinecarbothioamide STK807724 F1743-0022 AKOS000809899 SMR000236945 4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide CHEMBL1388940 ZINC2709006 690249-48-0 HMS2592G04 4-(3-chlorophenyl)-N-(3-((difluoromethyl)sulfonyl)phenyl)piperazine-1-carbothioamide BDBM61810 MolPort-000-380-038 ST50777176 4-(3-chlorophenyl)-N-{3-[(difluoromethyl)sulfonyl]phenyl}piperazine-1-carbothioamide cid_2147112 [ Show all ]
Inchi Key	AFYSBOFSBZXDRD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClF2N3O2S2/c19-13-3-1-5-15(11-13)23-7-9-24(10-8-23)18(27)22-14-4-2-6-16(12-14)28(25,26)17(20)21/h1-6,11-12,17H,7-10H2,(H,22,27)
PubChem CID	2147112
ChEMBL	CHEMBL1388940
IUPHAR	N/A
BindingDB	61810
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<35430.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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