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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	1-Benzyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1H-benzoimidazole
Molecular formula	C22H18N6S
IUPAC name	1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole
Molecular weight	398.488
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.7
Synonyms	Oprea1_222736 BAS 00782406 HMS2480I19 SR-01000413749 1-benzyl-2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-1H-1,3-benzodiazole MLS002540873 ZINC834014 AC1Q295V Oprea1_762264 MCULE-1546577823 SR-01000413749-1 1-benzyl-2-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1H-benzimidazole MolPort-000-901-279 AKOS000544457 CHEMBL1303226 SMR000108168 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole MLS000112254 STK042556 AC1LL8JP [ Show all ]
Inchi Key	AAMXDGPOCNFAOV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18N6S/c1-3-9-17(10-4-1)15-27-20-14-8-7-13-19(20)23-21(27)16-29-22-24-25-26-28(22)18-11-5-2-6-12-18/h1-14H,15-16H2
PubChem CID	1105872
ChEMBL	CHEMBL1303226
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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