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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	2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone
Molecular formula	C12H8Cl2O4
IUPAC name	2,3-dichloro-5,8-dimethoxynaphthalene-1,4-dione
Molecular weight	287.092
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.1
Synonyms	STL323102 CTK7A1419 2,3-bis(chloranyl)-5,8-dimethoxy-naphthalene-1,4-dione AKOS022118200 NCI60_019450 SCHEMBL14662869 2,3-dichloro-5,8-dimethoxynaphthalene-1,4-dione CHEMBL131037 AC1L8C42 MCULE-2639698142 BDBM50605 NSC-656208 SMR000425588 36528-53-7 cid_375895 1,4-Naphthalenedione, 2,3-dichloro-5,8-dimethoxy- AC1Q6JK5 MLS001030189 2,3-Dichloro-5,8-dimethoxy-[1,4]naphthoquinone NSC656208 [ Show all ]
Inchi Key	DRGCWMGLVXZPIZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H8Cl2O4/c1-17-5-3-4-6(18-2)8-7(5)11(15)9(13)10(14)12(8)16/h3-4H,1-2H3
PubChem CID	375895
ChEMBL	CHEMBL131037
IUPHAR	N/A
BindingDB	50605
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	6309.6 nM	PubChem BioAssay data set	ChEMBL

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