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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	3-Methyl-5-nitro-1H-indole-2-carboxylic acid
Molecular formula	C10H8N2O4
IUPAC name	3-methyl-5-nitro-1H-indole-2-carboxylic acid
Molecular weight	220.184
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.1
Synonyms	3815AE SCHEMBL6847834 AC1LL3DD CTK5I3552 SR-01000324661-1 BDBM61818 MLS000716383 ZINC790611 446830-73-5 CHEMBL1373205 SMR000277900 1H-Indole-2-carboxylic acid, 3-methyl-5-nitro- AKOS000300634 HMS2658N12 ST50277055 3-methyl-5-nitroindole-2-carboxylic acid BUWLROXHVDVDKY-UHFFFAOYSA-N Oprea1_006521 cid_1078087 SR-01000324661 3-methyl-5-nitro-1 h-indole-2-carboxylic acid BAS 05150787 MCULE-2782718818 TR-055602 [ Show all ]
Inchi Key	BUWLROXHVDVDKY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H8N2O4/c1-5-7-4-6(12(15)16)2-3-8(7)11-9(5)10(13)14/h2-4,11H,1H3,(H,13,14)
PubChem CID	1078087
ChEMBL	CHEMBL1373205
IUPHAR	N/A
BindingDB	61818
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	6636.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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