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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	MLS000584180
Molecular formula	C18H15ClN2O2
IUPAC name	2-chloro-3-[4-(dimethylamino)anilino]naphthalene-1,4-dione
Molecular weight	326.78
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	CTK4I5957 NSC92081 42262-96-4 MCULE-5140727957 ZINC175659 2-chloro-3-[4-(dimethylamino)anilino]-1,4-naphthoquinone AKOS001569126 CHEMBL1451772 NCIOpen2_009955 2-chloro-3-{[4-(dimethylamino)phenyl]amino}naphthoquinone DTXSID90293767 SCHEMBL6501763 1,4-Naphthalenedione,2-chloro-3-[[4-(dimethylamino)phenyl]amino]- AC1L63EB 2-chloro-3-[4-(dimethylamino)anilino]naphthalene-1,4-dione BDBM34778 cid_260557 NSC-92081 HMS2620L09 SMR000203343 2-chloranyl-3-[[4-(dimethylamino)phenyl]amino]naphthalene-1,4-dione AC1Q6B4H MolPort-003-711-560 2-chloro-3-{[4-(dimethylamino)phenyl]amino}-1,4-naphthoquinone [ Show all ]
Inchi Key	IFCBGAQTKDYXAL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15ClN2O2/c1-21(2)12-9-7-11(8-10-12)20-16-15(19)17(22)13-5-3-4-6-14(13)18(16)23/h3-10,20H,1-2H3
PubChem CID	260557
ChEMBL	CHEMBL1451772
IUPHAR	N/A
BindingDB	34778
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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