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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	MLS001006960
Molecular formula	C15H13N3O3S2
IUPAC name	N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
Molecular weight	347.407
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.2
Synonyms	MCULE-6842528521 SMR000349786 BDBM82849 cid_1548617 N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide AC1LU72G MLS-0293935.0001 ZINC1516570 MolPort-003-249-141 HMS2775J03 Oprea1_306563 AKOS001032463 MLS-0293935.0002 CHEMBL1340391 N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide [ Show all ]
Inchi Key	ACXMNBTUUKDNKX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H13N3O3S2/c1-20-9-5-6-10(11(8-9)21-2)14-17-18-15(23-14)16-13(19)12-4-3-7-22-12/h3-8H,1-2H3,(H,16,18,19)
PubChem CID	1548617
ChEMBL	CHEMBL1340391
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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