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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000581434
Molecular formula	C14H10ClF2N3O4
IUPAC name	1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-nitrophenyl)urea
Molecular weight	357.698
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	BDBM67975 N-[3-chloro-4-(difluoromethoxy)phenyl]-N'-(4-nitrophenyl)urea cid_2957586 ST50838258 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-nitrophenyl)urea AC1MG9FZ N-[4-(difluoromethoxy)-3-chlorophenyl][(4-nitrophenyl)amino]carboxamide HMS2549M24 STK459577 1-[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]-3-(4-nitrophenyl)urea MolPort-001-627-132 AKOS003328539 CHEMBL1342907 SMR000200059 MCULE-4000651672 ZINC5042000 [ Show all ]
Inchi Key	BMQFHNRBXLDKPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H10ClF2N3O4/c15-11-7-9(3-6-12(11)24-13(16)17)19-14(21)18-8-1-4-10(5-2-8)20(22)23/h1-7,13H,(H2,18,19,21)
PubChem CID	2957586
ChEMBL	CHEMBL1342907
IUPHAR	N/A
BindingDB	67975
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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