Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	Quinaldine red
Molecular formula	C21H23IN2
IUPAC name	4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline;iodide
Molecular weight	430.333
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	None
Synonyms	Quinolinium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-1-ethyl-, iodide Z70656T34N 1-Ethyl-2-p-dimethylaminostyrylquinoline iodide 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-quinoliniuiodide alpha-(p-Dimethylaminophenylethylene)quinolineethiodide Eastman 1361 NSC 36339 O726 SCHEMBL124471 2-(2-(4-(Dimethylamino)phenyl)ethenyl)-1-ethylquinolinium, iodide 4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide C21H23IN2 I14-100841 Quinaldine red, pure UNII-Z70656T34N (E)-2-(4-(dimethylamino)styryl)-1-ethylquinolinium iodide 2-(p-Dimethylaminostyryl)quinoline ethiodide AC1NWBX7 CHEMBL1492585 MLS000418480 NSC-36339 Quinolinium, 2-(p-(dimethylamino)styryl)-1-ethyl-, iodide (8CI) {4-[(1E)-2-(1-ethyl(2-quinolyl))vinyl]phenyl}dimethylamine, iodide 117-92-0 2-[4-(Dimethylamino)styryl]-1-ethylquinolinium iodide BP-12333 EINECS 204-221-5 Q0007 SMR000264929 (2-[2-(4-dimethylamino)-phenyl]-ethenyl)-1-ethylquinolinium iodide 2-(4-Dimethylaminostyryl)-1-ethylquinolinium iodide 65201-92-5 (chloride) CC-08426 MCULE-6050143335 quinalinium,2-[2-(4-dimethylamino)phenyl]ethenyl-1-ethyl-,iodide W-108556 .alpha.-(p-Dimethylaminophenylethylene)quinoline ethiodide 2-p-dimethylaminostyrylquinoline ethiodide AKOS001028487 Chinaldinrot MLS002637211 NSC36339 REGID_for_CID_5702759 2-(-(4-Dimethylamino)styryl)-1-ethylquinolinium iodide 2-{2-[4-(dimethylamino)phenyl]ethenyl}-1-ethylquinolin-1-ium iodide C-35473 HMS2565C04 ST51006961 (E)-2-(4-(dimethylamino)styryl)-1-ethylquinolin-1-ium iodide 2-(p-dimethylaminophenylethylene)quinolineethiodide a-(p-dimethylaminophenylethylene)quinoline ethiodide MFCD00011968 [ Show all ]
Inchi Key	JOLANDVPGMEGLK-UHFFFAOYSA-M
Inchi ID	InChI=1S/C21H23N2.HI/c1-4-23-20(16-12-18-7-5-6-8-21(18)23)15-11-17-9-13-19(14-10-17)22(2)3;/h5-16H,4H2,1-3H3;1H/q+1;/p-1
PubChem CID	5702759
ChEMBL	CHEMBL1492585
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	5011.9 nM	PubChem BioAssay data set	ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218