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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000544661
Molecular formula	C18H12Br2N4
IUPAC name	2,4-bis(3-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
Molecular weight	444.13
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.6
Synonyms	2,4-bis(3-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine ZINC988040 AJ-916/40989363 2,4-bis(3-bromophenyl)-7-methyl-2H-pyrazolo[3,4-d]pyridazine CHEMBL1536422 MolPort-002-817-998 BDBM88589 2,4-bis(3-bromophenyl)-7-methyl-pyrazolo[3,4-d]pyridazine cid_1214669 SMR000164076 AC1LO5OX [ Show all ]
Inchi Key	AECFCCDRHPPLMX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H12Br2N4/c1-11-17-16(10-24(23-17)15-7-3-6-14(20)9-15)18(22-21-11)12-4-2-5-13(19)8-12/h2-10H,1H3
PubChem CID	1214669
ChEMBL	CHEMBL1536422
IUPHAR	N/A
BindingDB	88589
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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