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 1
SpeciesHomo sapiens (Human)
GeneSSTR1
SynonymSRIF-2
SS-1-R
SS1-R
SS1R
SST1 receptor
DiseaseAlzheimer disease
Cushing's disease
Neuroendocrine cancer
Length391
Amino acid sequenceMFPNGTASSPSSSPSPSPGSCGEGGGSRGPGAGAADGMEEPGRNASQNGTLSEGQGSAILISFIYSVVCLVGLCGNSMVIYVILRYAKMKTATNIYILNLAIADELLMLSVPFLVTSTLLRHWPFGALLCRLVLSVDAVNMFTSIYCLTVLSVDRYVAVVHPIKAARYRRPTVAKVVNLGVWVLSLLVILPIVVFSRTAANSDGTVACNMLMPEPAQRWLVGFVLYTFLMGFLLPVGAICLCYVLIIAKMRMVALKAGWQQRKRSERKITLMVMMVVMVFVICWMPFYVVQLVNVFAEQDDATVSQLSVILGYANSCANPILYGFLSDNFKRSFQRILCLSWMDNAAEEPVDYYATALKSRAYSVEDFQPENLESGGVFRNGTCTSRITTL
UniProtP30872
Protein Data BankN/A
GPCR-HGmod modelP30872
3D structure modelThis predicted structure model is from GPCR-EXP P30872.
BioLiPN/A
Therapeutic Target DatabaseT16633
ChEMBLCHEMBL1917
IUPHAR355
DrugBankBE0000452

Ligand

Namesst4-selective analogue 17
Molecular formulaC53H62N11O12S2-
IUPAC name(4S,7S,10S,13S,17R,20R,23S,26R,29S)-29-amino-7,23,26-tribenzyl-4-carboxy-10-[(1R)-1-hydroxyethyl]-20-(1H-indol-3-ylmethyl)-13-methyl-6,9,12,15,19,22,25,28-octaoxo-1,2-dithia-5,8,11,14,16,18,21,24,27-nonazacyclotriacontan-17-olate
Molecular weight1109.26
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP1.2
SynonymsCID44368108
BDBM50136764
(11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4-carboxy-10-((S)-1-hydroxy-ethyl)-20-(1H-indol-3-ylmethyl)-13-methyl-6,12,15,28-tetraoxo-9,19,25-tri(R)-oxo-22-(S)-oxo-1,2-dithia-5,8,11,14,16,18,21,24,27-nonaaza-cyclotriacontan-17-ol anion
Inchi KeyBNFXQXZSZFDCOU-SMWASMGWSA-N
Inchi IDInChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
PubChem CID44368108
ChEMBLN/A
IUPHARN/A
BindingDB50136764
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<10000.0 nMPMID14667212BindingDB

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