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 3
SpeciesMus musculus (Mouse)
GeneSstr3
SynonymSSR-28
SS3R
SS3-R
SS-3-R
SRIF1C
[ Show all ]
DiseaseN/A for non-human GPCRs
Length428
Amino acid sequenceMATVTYPSSEPTTLDPGNASSTWPLDTTLGNTSAGASLTGLAVSGILISLVYLVVCVVGLLGNSLVIYVVLRHTSSPSVTSVYILNLALADELFMLGLPFLAAQNALSYWPFGSLMCRLVMAVDGINQFTSIFCLTVMSVDRYLAVVHPTRSARWRTAPVARTVSAAVWVASAVVVLPVVVFSGVPRGMSTCHMQWPEPAAAWRTAFIIYTAALGFFGPLLVICLCYLLIVVKVRSTTRRVRAPSCQWVQAPACQRRRRSERRVTRMVVAVVALFVLCWMPFYLLNIVNVVCPLPEEPAFFGLYFLVVALPYANSCANPILYGFLSYRFKQGFRRILLRPSRRIRSQEPGSGPPEKTEEEEDEEEEERREEEERRMQRGQEMNGRLSQIAQAGTSGQQPRPCTGTAKEQQLLPQEATAGDKASTLSHL
UniProtP30935
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2238
IUPHAR357
DrugBankN/A

Ligand

NameCHEMBL436783
Molecular formulaC49H65N11O10S
IUPAC name(3R,6S,9R,12S,15R,18S)-9-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-18-[[(2R)-2-amino-3-phenylpropanoyl]amino]-15-benzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carboxamide
Molecular weight1000.19
Hydrogen bond acceptor13
Hydrogen bond donor13
XlogP0.5
SynonymsBDBM50059089
9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propionylamino)-15-benzyl-6-(1-hydroxy-ethyl)-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclononadecane-3-carboxylic acid (1-carbamoyl-2-hydroxy-propyl)-amide
Inchi KeyDTIUHIDPXKIHMG-MNTGUQQXSA-N
Inchi IDInChI=1S/C49H65N11O10S/c1-27(61)40(42(52)63)59-48(69)39-26-71-25-38(57-43(64)33(51)21-29-13-5-3-6-14-29)47(68)55-36(22-30-15-7-4-8-16-30)45(66)56-37(23-31-24-53-34-18-10-9-17-32(31)34)46(67)54-35(19-11-12-20-50)44(65)60-41(28(2)62)49(70)58-39/h3-10,13-18,24,27-28,33,35-41,53,61-62H,11-12,19-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,69)(H,60,65)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
PubChem CID44311848
ChEMBLCHEMBL436783
IUPHARN/A
BindingDB50059089
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 nMPMID9216843BindingDB,ChEMBL

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