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	Somatostatin receptor type 3
Species	Homo sapiens (Human)
Gene	SSTR3
Synonym	SSR-28 SS3R SS3-R SS-3-R SRIF1C somatostatin receptor 28 SST3 receptor [ Show all ]
Disease	N/A
Length	418
Amino acid sequence	MDMLHPSSVSTTSEPENASSAWPPDATLGNVSAGPSPAGLAVSGVLIPLVYLVVCVVGLLGNSLVIYVVLRHTASPSVTNVYILNLALADELFMLGLPFLAAQNALSYWPFGSLMCRLVMAVDGINQFTSIFCLTVMSVDRYLAVVHPTRSARWRTAPVARTVSAAVWVASAVVVLPVVVFSGVPRGMSTCHMQWPEPAAAWRAGFIIYTAALGFFGPLLVICLCYLLIVVKVRSAGRRVWAPSCQRRRRSERRVTRMVVAVVALFVLCWMPFYVLNIVNVVCPLPEEPAFFGLYFLVVALPYANSCANPILYGFLSYRFKQGFRRVLLRPSRRVRSQEPTVGPPEKTEEEDEEEEDGEESREGGKGKEMNGRVSQITQPGTSGQERPPSRVASKEQQLLPQEASTGEKSSTMRISYL
UniProt	P32745
Protein Data Bank	N/A
GPCR-HGmod model	P32745
3D structure model	This predicted structure model is from GPCR-EXP P32745.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2028
IUPHAR	357
DrugBank	BE0003529

Ligand

Name	CHEMBL391951
Molecular formula	C23H29N3O3
IUPAC name	N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
Molecular weight	395.503
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.0
Synonyms	BDBM50227105 N-(1-(4-methoxy-3-propoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine SCHEMBL3578504
Inchi Key	AQMDQWAARXFGOY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29N3O3/c1-3-14-28-22-15-17(8-9-21(22)27-2)16-26-12-10-18(11-13-26)24-23-25-19-6-4-5-7-20(19)29-23/h4-9,15,18H,3,10-14,16H2,1-2H3,(H,24,25)
PubChem CID	24740753
ChEMBL	CHEMBL391951
IUPHAR	N/A
BindingDB	50227105
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID19786348	PDSP,BindingDB,ChEMBL

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