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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	SMR000027223
Molecular formula	C13H7FN4O2S
IUPAC name	N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
Molecular weight	302.283
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM56999 N-(4-fluoranyl-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine 4-fluoro-N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazol-2-amine cid_3245517 N-(4-fluorobenzo[d]thiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine AC1MMWHQ MCULE-3299363936 SR-01000096669 N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(2-furanyl)-1,3,4-oxadiazol-2-amine F0646-1807 REGID_for_CID_3245517 AKOS024591039 MLS000045464 SR-01000096669-1 (4-fluoro-1,3-benzothiazol-2-yl)-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]amine CHEMBL1461196 N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine AB00418244-07 HMS2387F16 [ Show all ]
Inchi Key	GAMMRBPIJMZJKC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H7FN4O2S/c14-7-3-1-5-9-10(7)15-13(21-9)16-12-18-17-11(20-12)8-4-2-6-19-8/h1-6H,(H,15,16,18)
PubChem CID	3245517
ChEMBL	CHEMBL1461196
IUPHAR	N/A
BindingDB	56999
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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