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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	MLS000559294
Molecular formula	C21H14N2O2S2
IUPAC name	2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenothiazin-10-ylethanone
Molecular weight	390.475
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.4
Synonyms	HMS2540P21 SR-01000515289-1 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(10H-phenothiazin-10-yl)-1-ethanone 2-benzoxazol-2-ylthio-1-phenothiazin-10-ylethan-1-one BDBM61050 CBMicro_049270 MolPort-000-468-308 STK064631 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenothiazin-10-ylethanone A1295/0058864 CHEMBL1534620 SMR000176188 2-(Benzooxazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone AKOS000620313 MCULE-2965385761 SR-01000515289-2 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(10H-phenothiazin-10-yl)ethanone 332043-43-3 BIM-0049221.P001 CCG-45027 Oprea1_036108 ZB014769 2-(1,3-benzoxazol-2-ylthio)-1-(10-phenothiazinyl)ethanone AB00095454-01 cid_1035430 SR-01000515289 10-[(1,3-Benzoxazol-2-ylthio)acetyl]-10H-phenothiazine 2-(benzo[d]oxazol-2-ylthio)-1-(10H-phenothiazin-10-yl)ethanone BAS 00861739 ST4028551 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone BRD-K32225644-001-07-7 Oprea1_344028 ZINC705508 2-(1,3-benzoxazol-2-ylthio)-1-phenothiazin-10-yl-ethanone AC1LK16J [ Show all ]
Inchi Key	ABKHXRBPKKSBDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H14N2O2S2/c24-20(13-26-21-22-14-7-1-4-10-17(14)25-21)23-15-8-2-5-11-18(15)27-19-12-6-3-9-16(19)23/h1-12H,13H2
PubChem CID	1035430
ChEMBL	CHEMBL1534620
IUPHAR	N/A
BindingDB	61050
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	10000.0 nM	PubChem BioAssay data set	ChEMBL

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