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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	MLS000325386
Molecular formula	C17H13BrClN5O4
IUPAC name	N-[(Z)-(3-bromophenyl)methylideneamino]-5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carboxamide
Molecular weight	466.676
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.1
Synonyms	REGID_for_CID_5431585 MolPort-002-820-013 STK453004 AK-968/15604565 N-[(1Z)-2-(3-bromophenyl)-1-azavinyl]{5-[(4-chloro-5-methyl-3-nitropyrazolyl)m ethyl](2-furyl)}carboxamide CHEMBL3198312 SMR000159511 N'-(3-bromobenzylidene)-5-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)-2-furohydrazide AKOS003996076 N-[(Z)-(3-bromophenyl)methylideneamino]-5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carboxamide ST50931515 AC1NTKDQ N'-[(Z)-(3-bromophenyl)methylidene]-5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbohydrazide [ Show all ]
Inchi Key	ABCXJIGKWRYVEV-ZBKNUEDVSA-N
Inchi ID	InChI=1S/C17H13BrClN5O4/c1-10-15(19)16(24(26)27)22-23(10)9-13-5-6-14(28-13)17(25)21-20-8-11-3-2-4-12(18)7-11/h2-8H,9H2,1H3,(H,21,25)/b20-8-
PubChem CID	5431585
ChEMBL	CHEMBL3198312
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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