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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	MLS000830224
Molecular formula	C15H8BrF6NO
IUPAC name	N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
Molecular weight	412.129
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.2
Synonyms	HMS2808F16 ZINC12340415 BDBM58215 MolPort-002-900-399 cid_2810429 SCHEMBL14785061 MCULE-5515173346 N-[4-bromanyl-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide Cyto4F6 SMR000458145 AC1MDFH4 CHEMBL1323248 N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide [ Show all ]
Inchi Key	ABFFAXAUDJIANV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H8BrF6NO/c16-12-6-5-10(7-11(12)15(20,21)22)23-13(24)8-1-3-9(4-2-8)14(17,18)19/h1-7H,(H,23,24)
PubChem CID	2810429
ChEMBL	CHEMBL1323248
IUPHAR	N/A
BindingDB	N/A
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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