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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	MLS000062663
Molecular formula	C15H9NO2S3
IUPAC name	3-(1,3-benzothiazol-2-ylsulfanyl)-1-benzothiophene 1,1-dioxide
Molecular weight	331.422
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.9
Synonyms	3-(1,3-benzothiazol-2-ylsulfanyl)-1-benzothiophene 1,1-dioxide BDBM37114 3-benzothiazol-2-ylthiobenzo[b]thiole-1,1-dione cid_701067 SR-01000499549-1 2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzothiazole AKOS000639850 MCULE-8619684140 ZINC81590 3-(1,3-benzothiazol-2-ylthio)-1-benzothiophene 1,1-dioxide SMR000071200 HMS1681I07 ST092382 2-[(1,1-dioxido-1-benzothiophen-3-yl)sulfanyl]-1,3-benzothiazole BAS 03295946 MLS-0010363.0001 3-(1,3-benzothiazol-2-ylthio)benzothiophene 1,1-dioxide CHEMBL1370884 SR-01000499549 2-(1,1-Dioxo-1H-1lambda6-benzo[b]thiophen-3-ylsulfanyl)-benzothiazole AC1LDTDI HMS2355N03 STK089167 [ Show all ]
Inchi Key	BKZOIKUBPIWBKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H9NO2S3/c17-21(18)9-13(10-5-1-4-8-14(10)21)20-15-16-11-6-2-3-7-12(11)19-15/h1-9H
PubChem CID	701067
ChEMBL	CHEMBL1370884
IUPHAR	N/A
BindingDB	37114
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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