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 2
Species	Homo sapiens (Human)
Gene	SSTR2
Synonym	somatotropin release-inhibiting factor receptor SRIF-1 SS-2-R SS2-R SS2R SST2 receptor [ Show all ]
Disease	Acromegaly Lung cancer Neuroendocrine cancer
Length	369
Amino acid sequence	MDMADEPLNGSHTWLSIPFDLNGSVVSTNTSNQTEPYYDLTSNAVLTFIYFVVCIIGLCGNTLVIYVILRYAKMKTITNIYILNLAIADELFMLGLPFLAMQVALVHWPFGKAICRVVMTVDGINQFTSIFCLTVMSIDRYLAVVHPIKSAKWRRPRTAKMITMAVWGVSLLVILPIMIYAGLRSNQWGRSSCTINWPGESGAWYTGFIIYTFILGFLVPLTIICLCYLFIIIKVKSSGIRVGSSKRKKSEKKVTRMVSIVVAVFIFCWLPFYIFNVSSVSMAISPTPALKGMFDFVVVLTYANSCANPILYAFLSDNFKKSFQNVLCLVKVSGTDDGERSDSKQDKSRLNETTETQRTLLNGDLQTSI
UniProt	P30874
Protein Data Bank	N/A
GPCR-HGmod model	P30874
3D structure model	This predicted structure model is from GPCR-EXP P30874.
BioLiP	N/A
Therapeutic Target Database	T53024
ChEMBL	CHEMBL1804
IUPHAR	356
DrugBank	BE0003528

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