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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	MLS000374746
Molecular formula	C20H18Cl2N4O4S
IUPAC name	4,5-dichloro-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
Molecular weight	481.348
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.5
Synonyms	849516-59-2 MCULE-4054731624 4,5-dichloro-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one BDBM42060 MolPort-004-144-203 4,5-dichloro-2-{2-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydropyridazin-3-one cid_2585042 ZINC03464696 AC1M9KUF 4,5-dichloro-2-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]pyridazin-3-one SMR000242163 HMS2604M05 ZINC3464696 4,5-bis(chloranyl)-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]pyridazin-3-one AKOS033655297 MLS002633117 4,5-dichloro-2-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-3-pyridazinone CHEMBL1540377 Z19023846 [ Show all ]
Inchi Key	DOIOALQHSXBINK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18Cl2N4O4S/c21-17-12-23-26(20(28)19(17)22)13-18(27)24-7-9-25(10-8-24)31(29,30)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11-12H,7-10,13H2
PubChem CID	2585042
ChEMBL	CHEMBL1540377
IUPHAR	N/A
BindingDB	42060
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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