Zhang Lab

National University of Singapore

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 ●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	Rattus norvegicus (Rat)
Gene	Npsr1
Synonym	G-protein coupled receptor 154 GPR154 G protein-coupled receptor 154 NPS receptor PGR14 vasopressin receptor-related receptor 1 VRR1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	372
Amino acid sequence	MPANLTEGSFHANQTVPMLDSSPVACTEIVTFTEALEAEEWGSFYSSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKRKSRMTFFVTQLAITDSFTGLINILTDIIWRFTGDFMAPDLVCRIVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGAEKQAKVLIGIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISVIYGLVIRTIWIKSKAHETVISNCSDGELCCSYNRGLISKAKIKAIKYSIVIILAFICCWSPYFLFDMLDNFNLLPDTKERFYASVIIQNLPALNSAINPLIYCIFSGSLCSPCKVQRSQDSRMTYRERSERHEMQILSKPEFI
UniProt	P0C0L6
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3308949
IUPHAR	302
DrugBank	N/A

Ligand

Name	CHEMBL1210313
Molecular formula	C28H41N3O3
IUPAC name	N-(3-methyl-1-morpholin-4-ylpentan-3-yl)-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide
Molecular weight	467.654
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.1
Synonyms	BDBM50322839 NCGC00189027-01 D0TX8L SCHEMBL2407215 N-(3-methyl-1-morpholinopentan-3-yl)-N-((1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)cyclohexanecarboxamide QA1 GTPL5815 NCGC00187765-01 rac-N-(3-methyl-1-morpholinopentan-3-yl)-N-((1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)cyclohexanecarboxamide N-(3-methyl-1-morpholin-4-ylpentan-3-yl)-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide [ Show all ]
Inchi Key	FWHNGUFKFXDMER-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
PubChem CID	44156964
ChEMBL	CHEMBL1210313
IUPHAR	5815
BindingDB	50322839
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1.3 nM	PMID20510609	ChEMBL
EC50	1400.0 nM	PMID20510609	ChEMBL
IC50	1440.0 nM	PMID20510609	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417