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

You can:

GPCR

NameSomatostatin receptor type 5
SpeciesHomo sapiens (Human)
GeneSSTR5
SynonymSOMATO
SS-5-R
SS5-R
SS5R
SST5 receptor
DiseaseN/A
Length364
Amino acid sequenceMEPLFPASTPSWNASSPGAASGGGDNRTLVGPAPSAGARAVLVPVLYLLVCAAGLGGNTLVIYVVLRFAKMKTVTNIYILNLAVADVLYMLGLPFLATQNAASFWPFGPVLCRLVMTLDGVNQFTSVFCLTVMSVDRYLAVVHPLSSARWRRPRVAKLASAAAWVLSLCMSLPLLVFADVQEGGTCNASWPEPVGLWGAVFIIYTAVLGFFAPLLVICLCYLLIVVKVRAAGVRVGCVRRRSERKVTRMVLVVVLVFAGCWLPFFTVNIVNLAVALPQEPASAGLYFFVVILSYANSCANPVLYGFLSDNFRQSFQKVLCLRKGSGAKDADATEPRPDRIRQQQEATPPAHRAAANGLMQTSKL
UniProtP35346
Protein Data BankN/A
GPCR-HGmod modelP35346
3D structure modelThis predicted structure model is from GPCR-EXP P35346.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1792
IUPHAR359
DrugBankBE0002147

Ligand

NameCHEMBL2093027
Molecular formulaC54H65N11O12S2
IUPAC name(4S,7S,10S,13S,17S,20R,23S,26R,29S)-29-amino-7,23,26-tribenzyl-17-hydroxy-10-[(1R)-1-hydroxyethyl]-20-(1H-indol-3-ylmethyl)-13,14-dimethyl-6,9,12,15,19,22,25,28-octaoxo-1,2-dithia-5,8,11,14,16,18,21,24,27-nonazacyclotriacontane-4-carboxylic acid
Molecular weight1124.3
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP0.3
SynonymsN/A
Inchi KeyAMSSXMFYNJXXDJ-UFNOXYSZSA-N
Inchi IDInChI=1S/C54H65N11O12S2/c1-30-45(67)62-44(31(2)66)51(73)60-41(25-34-19-11-6-12-20-34)49(71)61-43(52(74)75)29-79-78-28-37(55)46(68)57-39(23-32-15-7-4-8-16-32)47(69)58-40(24-33-17-9-5-10-18-33)48(70)59-42(50(72)63-53(76)64-54(77)65(30)3)26-35-27-56-38-22-14-13-21-36(35)38/h4-22,27,30-31,37,39-44,53,56,66,76H,23-26,28-29,55H2,1-3H3,(H,57,68)(H,58,69)(H,59,70)(H,60,73)(H,61,71)(H,62,67)(H,63,72)(H,64,77)(H,74,75)/t30-,31+,37+,39+,40-,41-,42+,43+,44-,53-/m0/s1
PubChem CID70691295
ChEMBLCHEMBL2093027
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID14667212ChEMBL

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