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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	TCMDC-123502
Molecular formula	C18H21Cl2NO
IUPAC name	2-(butan-2-ylamino)-1,1-bis(4-chlorophenyl)ethanol
Molecular weight	338.272
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.7
Synonyms	MMV665928 2-(sec-butylamino)-1,1-bis(4-chlorophenyl)-1-ethanol HMS2637G14 AC1MX0V2 MCULE-8508219484 1J-343S CHEMBL529640 Oprea1_408206 2-[(butan-2-yl)amino]-1,1-bis(4-chlorophenyl)ethan-1-ol HMS3359O18 AKOS005082621 MLS000692185 2-(butan-2-ylamino)-1,1-bis(4-chlorophenyl)ethanol GNF-Pf-4606 SMR000333848 321432-92-2 KS-000032D0 [ Show all ]
Inchi Key	BQRBPWDQFAYRAI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21Cl2NO/c1-3-13(2)21-12-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,21-22H,3,12H2,1-2H3
PubChem CID	3808173
ChEMBL	CHEMBL529640
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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