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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	SMR000153080
Molecular formula	C23H27F3N4O3S
IUPAC name	3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
Molecular weight	496.549
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.6
Synonyms	AB00457291-04 HMS3317B09 3-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide BDBM61022 MLS001332780 cid_3387518 Z28168851 3-[5-(diethylsulfamoyl)-1-ethyl-1H-1,3-benzodiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide AC1MPM9C MCULE-8021707137 3-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propionamide MolPort-005-776-770 749914-63-4 HMS2162O15 ZINC8666050 3-[5-(diethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-N-[3-(trifluoromethyl)phenyl]propanamide AKOS007981990 MLS000565958 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide CHEMBL1374931 [ Show all ]
Inchi Key	AMOYQXOTIPSJNI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27F3N4O3S/c1-4-29(5-2)34(32,33)18-10-11-20-19(15-18)28-21(30(20)6-3)12-13-22(31)27-17-9-7-8-16(14-17)23(24,25)26/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,27,31)
PubChem CID	3387518
ChEMBL	CHEMBL1374931
IUPHAR	N/A
BindingDB	61022
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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