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	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	SIB 1893
Molecular formula	C14H13N
IUPAC name	2-methyl-6-[(E)-2-phenylethenyl]pyridine
Molecular weight	195.265
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.6
Synonyms	AC1Q4VO3 CHEBI:93178 L000561 NCGC00025046-04 PDSP2_001555 SR-01000076143 2-methyl-6-(2-phenylethenyl)pyridine 2-[(E)-Styryl]-6-methylpyridine BDBM50084141 EU-0101171 MFCD02262120 NCGC00261856-01 Tox21_501171 (E)-2-Methyl-6-(2-phenylethyl)-pyridine 7370-21-0 CAS_5311432 KB-231610 NCGC00025046-02 NSC_5311432 SIB1893 2-Methyl-6-styryl-pyridine(SIB-1893) AKOS006279967 Lopac0_001171 NCGC00025046-05 Pyridine,2-methyl-6-(2-phenylethenyl)- SR-01000076143-1 BDBM86715 GTPL1432 MLS002607995 NSC-36665 SIB 1893, >99%, solid ZINC3941522 (E)-2-methyl-6-styrylpyridine AC1NSKMI CCG-205245 KB-60434 NCGC00025046-03 PDSP1_001571 SMR000326914 2-Methyl-6-((E)-styryl)-pyridine 2-methyl-6-[(E)-2-phenylethenyl]pyridine BC600133 CHEMBL88612 LP01171 NCGC00025046-06 S 9311 SR-01000076143-3 6266-99-5 BRD-K67439147-001-01-7 HMS3263L03 MolPort-003-959-634 NSC36665 SIB-1893 [E]-2-Methyl-6-[2-phenylethenyl]pyridine (E)-2-Methyl-6-[2-phenylethenyl]pyridine [ Show all ]
Inchi Key	SISOFUCTXZKSOQ-ZHACJKMWSA-N
Inchi ID	InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3/b11-10+
PubChem CID	5311432
ChEMBL	CHEMBL88612
IUPHAR	1432
BindingDB	50084141
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	10000.0 nM	PubChem BioAssay data set	ChEMBL

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