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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	MLS000582311
Molecular formula	C28H26N2O3S
IUPAC name	3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
Molecular weight	470.587
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	6.0
Synonyms	AKOS000378146 MCULE-3226813305 N-[1,1'-Biphenyl]-2-yl-3-[[(2,5-dimethylphenyl)amino]sulfonyl]-4-methyl-benzamide ZINC2870496 MLS002547616 SCHEMBL15919821 824981-55-7 DTXSID60367060 N-2-biphenylyl-3-{[(2,5-dimethylphenyl)amino]sulfonyl}-4-methylbenzamide SMR000200850 API0008524 MFCD06623281 NCGC00485111-01 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide CHEMBL1427860 MolPort-002-283-249 SF-22, >=98% (HPLC) AC1M41AG HMS2442J16 N-[1,1 inverted exclamation marka-Biphenyl]-2-yl-3-[[(2,5-dimethylphenyl)amino]sulfonyl]-4-methyl-benzamide STL100705 BDBM42524 REGID_for_CID_2223246 cid_2223246 N-(biphenyl-2-yl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide SID 17413034 [ Show all ]
Inchi Key	BWWPVIRXNOWQSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H26N2O3S/c1-19-13-14-20(2)26(17-19)30-34(32,33)27-18-23(16-15-21(27)3)28(31)29-25-12-8-7-11-24(25)22-9-5-4-6-10-22/h4-18,30H,1-3H3,(H,29,31)
PubChem CID	2223246
ChEMBL	CHEMBL1427860
IUPHAR	N/A
BindingDB	42524
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	2511.9 nM	PubChem BioAssay data set	ChEMBL

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