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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	(1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene
Molecular formula	C12H22O4S2
IUPAC name	(1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene
Molecular weight	294.424
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.1
Synonyms	AC1NR8NK MLS000085704 ZINC32219910 HMS2286C05 AKOS024274831 SMR000020833 CHEMBL1563483 A1651/0070518 MCULE-7729606121 BDBM38993 ST007863 cid_5286934 [ Show all ]
Inchi Key	AWAPBXGSDGWNHK-OXAWKVHCSA-N
Inchi ID	InChI=1S/C12H22O4S2/c1-3-5-9-17(13,14)11-7-8-12-18(15,16)10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b11-7-,12-8-
PubChem CID	5286934
ChEMBL	CHEMBL1563483
IUPHAR	N/A
BindingDB	38993
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	5011.9 nM	PubChem BioAssay data set	ChEMBL

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