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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	MLS000547582
Molecular formula	C14H9ClN2O2S
IUPAC name	4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine
Molecular weight	304.748
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.8
Synonyms	A2805/0118614 EU-0019764 SR-01000538776-1 4-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine BDBM61431 5-(2H,3H-benzo[e]1,4-dioxin-2-yl)-4-chlorothiopheno[2,3-d]pyrimidine CHEMBL1368609 SMR000115094 AC1N0A0R HMS2406L17 ST090949 4-chloro-5-(2,3-dihydro-1,4-benzodioxin-2-yl)thieno[2,3-d]pyrimidine CHEBI:112789 MolPort-002-714-775 cid_3913718 SR-01000538776 AKOS005595235 MCULE-1770125890 STK678738 4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine Oprea1_125136 [ Show all ]
Inchi Key	BYXYOOUBQILWGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H9ClN2O2S/c15-13-12-8(6-20-14(12)17-7-16-13)11-5-18-9-3-1-2-4-10(9)19-11/h1-4,6-7,11H,5H2
PubChem CID	3913718
ChEMBL	CHEMBL1368609
IUPHAR	N/A
BindingDB	61431
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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