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GLASS

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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	MLS000762858
Molecular formula	C21H28ClN5
IUPAC name	N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
Molecular weight	385.94
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.0
Synonyms	F3348-0373 N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'',N''-dimethyl-propane-1,3-diamine ZINC2438956 AKOS002294592 N1-(5-(tert-butyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl)-N3,N3-dimethylpropane-1,3-diamine (3-{[5-(tert-butyl)-3-(4-chlorophenyl)(8-hydropyrazolo[1,5-a]pyrimidin-7-yl)]a mino}propyl)dimethylamine CHEMBL1524515 N'-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpropane-1,3-diamine ST50782140 896079-67-7 HMS2803I10 N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'',N''-dimethylpropane-1,3-diamine BDBM51877 MolPort-002-637-119 SCHEMBL17717060 3-[[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethyl-amine cid_2035190 N-[5-tert-butyl-3-(4-chlorophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]-N'',N''-dimethylpropane-1,3-diamine STK596999 AC1M0V22 MCULE-8721880993 N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine N'-[5-tert-Butyl-3-(4-chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethyl-propane-1,3-diamine SMR000439716 [ Show all ]
Inchi Key	DRIZMJQNTPKFOD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28ClN5/c1-21(2,3)18-13-19(23-11-6-12-26(4)5)27-20(25-18)17(14-24-27)15-7-9-16(22)10-8-15/h7-10,13-14,23H,6,11-12H2,1-5H3
PubChem CID	2035190
ChEMBL	CHEMBL1524515
IUPHAR	N/A
BindingDB	51877
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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