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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	SMR000032959
Molecular formula	C20H22ClN5O3
IUPAC name	5-(3-chloro-4-ethoxyphenyl)-7-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Molecular weight	415.878
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.1
Synonyms	HMS2168M04 AC1NY9EU BDBM37075 MLS000046948 STL193210 cid_5771444 REGID_for_CID_5771444 5-(3-chloro-4-ethoxyphenyl)-7-(2,3-dimethoxyphenyl)-1,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine AKOS002140840 HMS3312G13 SR-01000087681 MLS000862990 5-(3-chloranyl-4-ethoxy-phenyl)-7-(2,3-dimethoxyphenyl)-1,5,6,7-tetrahydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine EU-0065598 SCHEMBL18292264 5-(3-chloro-4-ethoxyphenyl)-7-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine AKOS021631614 MCULE-4332003439 SR-01000087681-1 CHEMBL1411576 MolPort-007-946-977 5-(3-chloro-4-ethoxy-phenyl)-7-(2,3-dimethoxyphenyl)-1,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine [ Show all ]
Inchi Key	AINBGVWINWHKGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22ClN5O3/c1-4-29-17-9-8-12(10-14(17)21)15-11-16(26-20(22-15)23-24-25-26)13-6-5-7-18(27-2)19(13)28-3/h5-10,15-16H,4,11H2,1-3H3,(H,22,23,25)
PubChem CID	3243199
ChEMBL	CHEMBL1411576
IUPHAR	N/A
BindingDB	37075
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	1258.9 nM	PubChem BioAssay data set	ChEMBL

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