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GPCR

Name	Neuropeptide S receptor
Species	Homo sapiens (Human)
Gene	NPSR1
Synonym	G-protein coupled receptor for asthma susceptibility vasopressin receptor-related receptor 1 G protein-coupled receptor 154 PGR14 NPS receptor G-protein coupled receptor 154 GPR154 G-protein coupled receptor PGR14 VRR1 [ Show all ]
Disease	Neurological disease
Length	371
Amino acid sequence	MPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProt	Q6W5P4
Protein Data Bank	N/A
GPCR-HGmod model	Q6W5P4
3D structure model	This predicted structure model is from GPCR-EXP Q6W5P4.
BioLiP	N/A
Therapeutic Target Database	T20958
ChEMBL	CHEMBL5162
IUPHAR	302
DrugBank	BE0000948

Ligand

Name	MLS000687475
Molecular formula	C20H13BrN2O2
IUPAC name	5-bromo-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione
Molecular weight	393.24
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.0
Synonyms	5-Bromo-2-(4-pyridin-4-ylmethyl-phenyl)-isoindole-1,3-dione AKOS000734044 Oprea1_767048 5-bromo-2-[4-(4-pyridylmethyl)phenyl]isoindoline-1,3-quinone STK289915 306320-73-0 A2252/0094854 HMS2706E03 MolPort-000-830-684 5-bromo-2-[4-(4-pyridylmethyl)phenyl]-1H-isoindole-1,3(2H)-dione BAS 00219449 SMR000283504 5-bromo-2-[4-(pyridin-4-ylmethyl)phenyl]-1H-isoindole-1,3(2H)-dione CHEMBL1404979 ZINC3118594 5-bromanyl-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione AC1MJNRW MCULE-9232433834 Oprea1_521780 5-bromo-2-[4-(4-pyridylmethyl)phenyl]benzo[c]azoline-1,3-dione BDBM46411 ST047899 5-bromo-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione cid_3094907 [ Show all ]
Inchi Key	AEVYLJIUBXCPPJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H13BrN2O2/c21-15-3-6-17-18(12-15)20(25)23(19(17)24)16-4-1-13(2-5-16)11-14-7-9-22-10-8-14/h1-10,12H,11H2
PubChem CID	3094907
ChEMBL	CHEMBL1404979
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	25118.9 nM	PubChem BioAssay data set	ChEMBL

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