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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	3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Molecular formula	C20H18ClN5
IUPAC name	3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Molecular weight	363.849
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.2
Synonyms	BDBM80026 MolPort-002-635-711 [3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(2-pyridylmethyl)amine cid_3266722 ST50774087 AC1MMU0S MCULE-1717769294 [3-(4-Chloro-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethyl-amine SCHEMBL16935038 F3305-0396 STK868155 AKOS002306712 MLS000559839 [3-(4-chlorophenyl)-2,5-dimethyl(8-hydropyrazolo[1,5-a]pyrimidin-7-yl)](2-pyri dylmethyl)amine 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine CHEMBL1470925 SMR000439317 877804-71-2 HMS2792K04 ZINC5516469 [ Show all ]
Inchi Key	GGELKXVVOOVMHD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18ClN5/c1-13-11-18(23-12-17-5-3-4-10-22-17)26-20(24-13)19(14(2)25-26)15-6-8-16(21)9-7-15/h3-11,23H,12H2,1-2H3
PubChem CID	3266722
ChEMBL	CHEMBL1470925
IUPHAR	N/A
BindingDB	80026
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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