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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	MLS000572338
Molecular formula	C17H11F6NO
IUPAC name	(E)-N,3-bis[3-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight	359.271
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.4
Synonyms	(E)-N,3-bis[3-(trifluoromethyl)phenyl]acrylamide SMSF0014921 AKOS002187713 HMS2471J03 ZINC1191257 (2E)-N,3-bis[3-(trifluoromethyl)phenyl]prop-2-enamide BRD-K42830622-001-09-4 N,3-bis[3-(trifluoromethyl)phenyl]acrylamide (E)-N,3-bis[3-(trifluoromethyl)phenyl]prop-2-enamide CHEMBL1418598 ST50078690 BDBM57460 (E)-N,3-bis[3-(trifluoromethyl)phenyl]-2-propenamide CB07680 SMR000194299 AC1LQLA9 cid_1352451 STK949790 (2E)-3-[3-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide BIM-0005507.P001 MolPort-000-304-734 [ Show all ]
Inchi Key	HKWNCYKBLBCUHP-BQYQJAHWSA-N
Inchi ID	InChI=1S/C17H11F6NO/c18-16(19,20)12-4-1-3-11(9-12)7-8-15(25)24-14-6-2-5-13(10-14)17(21,22)23/h1-10H,(H,24,25)/b8-7+
PubChem CID	1352451
ChEMBL	CHEMBL1418598
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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