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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	SMR000147833
Molecular formula	C18H14N6OS
IUPAC name	4,6-diamino-8-imino-12-oxo-14-phenyl-9-thia-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5-tetraene-5-carbonitrile
Molecular weight	362.411
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	1.1
Synonyms	2,4-diamino-5-imino-8-oxo-10-phenyl-7,8,9,10-tetrahydro-5H-thiopyrano[2,3-b:4,5-b']dipyridine-3-carbonitrile HMS2387O20 AKOS005479025 MolPort-002-586-007 CHEMBL1556915 6,8-Diamino-9-imino-2-oxo-4-phenyl-1,3,4,9-tetrahydro-2H-10-thia-1,5-diaza-phenanthrene-7-carbonitr ile MCULE-3996618366 BDBM63072 MolPort-005-972-428 cid_5900673 STK551756 647830-20-4 MLS000556516 REGID_for_CID_5900673 [ Show all ]
Inchi Key	DKEHVXLGLYZRNF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H14N6OS/c19-7-10-14(20)13-15(24-16(10)21)12-9(8-4-2-1-3-5-8)6-11(25)23-18(12)26-17(13)22/h1-5,9,22H,6H2,(H,23,25)(H4,20,21,24)
PubChem CID	3708288
ChEMBL	CHEMBL1556915
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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