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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	MLS000333702
Molecular formula	C18H13FN2OS
IUPAC name	4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
Molecular weight	324.373
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.9
Synonyms	AC1MQVBT STL345376 4-[(4-fluorobenzyl)thio]-2-methyl-benzofuro[3,2-d]pyrimidine HMS2805L04 MolPort-002-619-711 4-(4-Fluoro-benzylsulfanyl)-2-methyl-benzo[4,5]furo[3,2-d]pyrimidine AKOS022124308 CHEMBL1339257 ZINC5217310 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine MCULE-2104777438 848064-47-1 SMR000437813 4-[(4-fluorobenzyl)sulfanyl]-2-methyl[1]benzofuro[3,2-d]pyrimidine BDBM61100 cid_3458131 4-[(4-fluorophenyl)methylthio]-2-methylbenzofuro[3,2-d]pyrimidine [ Show all ]
Inchi Key	BXYNVRSBWLAKGL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13FN2OS/c1-11-20-16-14-4-2-3-5-15(14)22-17(16)18(21-11)23-10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
PubChem CID	3458131
ChEMBL	CHEMBL1339257
IUPHAR	N/A
BindingDB	61100
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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