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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	SMR000196675
Molecular formula	C22H24N2O2S2
IUPAC name	2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
Molecular weight	412.566
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.6
Synonyms	MCULE-1052115417 STK095650 AKOS001674414 Oprea1_110090 1-[(1,3-benzothiazol-2-ylthio)acetyl]-6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline EU-0079636 SR-01000501716 2-(1,3-benzothiazol-2-ylthio)-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone MLS000575641 AKOS016301453 REGID_for_CID_2918857 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethanone CHEMBL1544798 HMS2336J03 SR-01000501716-1 AC1MFGGF MolPort-002-227-942 BDBM46903 cid_2918857 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone [ Show all ]
Inchi Key	AFXLHBRQFXVKKF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N2O2S2/c1-14-12-22(2,3)24(18-10-9-15(26-4)11-16(14)18)20(25)13-27-21-23-17-7-5-6-8-19(17)28-21/h5-11,14H,12-13H2,1-4H3
PubChem CID	2918857
ChEMBL	CHEMBL1544798
IUPHAR	N/A
BindingDB	N/A
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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