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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	MLS000114342
Molecular formula	C18H18ClNO3
IUPAC name	5-chloro-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Molecular weight	331.796
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.2
Synonyms	cid_2930337 AKOS000590665 5-chloro-2-(3,4-dihydro-1H-2-benzopyran-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione BDBM42484 REGID_for_CID_2930337 5-Chloro-2-isochroman-3-ylmethyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione HMS2265J09 AKOS030485408 MolPort-001-998-481 5-chloro-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Cambridge id 7207082 CHEMBL1468490 SMR000091747 AC1MG4LD MCULE-8767302281 5-chloranyl-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione BAS 04880002 CCG-22137 regid7967718 5-chloro-2-(isochroman-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone [ Show all ]
Inchi Key	AWCKGOAGXDNJHN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClNO3/c19-13-5-6-15-16(8-13)18(22)20(17(15)21)9-14-7-11-3-1-2-4-12(11)10-23-14/h1-5,14-16H,6-10H2
PubChem CID	2930337
ChEMBL	CHEMBL1468490
IUPHAR	N/A
BindingDB	42484
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	7817.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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