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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.
Go to the GPCR page and check other ligands which interact with it.
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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	MLS000771330
Molecular formula	C20H17FN2O4
IUPAC name	(3-fluoro-4-methoxyphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
Molecular weight	368.364
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.4
Synonyms	9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester MCULE-7549807342 (3-fluoro-4-methoxyphenyl)methyl 9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline-6-carboxylate BDBM61840 SMR000344393 790275-56-8 cid_2514495 AC1M8JOS (3-fluoro-4-methoxyphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Z25290843 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester HMS2769L13 (3-fluoranyl-4-methoxy-phenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate AKOS033938192 MolPort-004-059-533 CHEMBL1545377 ZINC3396024 [ Show all ]
Inchi Key	BAABFLPXHTWGFU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H17FN2O4/c1-26-17-7-4-12(9-15(17)21)11-27-20(25)13-5-6-14-16(10-13)22-18-3-2-8-23(18)19(14)24/h4-7,9-10H,2-3,8,11H2,1H3
PubChem CID	2514495
ChEMBL	CHEMBL1545377
IUPHAR	N/A
BindingDB	61840
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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