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 2
SpeciesHomo sapiens (Human)
GeneSSTR2
Synonymsomatotropin release-inhibiting factor receptor
SRIF-1
SS-2-R
SS2-R
SS2R
[ Show all ]
DiseaseAcromegaly
Lung cancer
Neuroendocrine cancer
Length369
Amino acid sequenceMDMADEPLNGSHTWLSIPFDLNGSVVSTNTSNQTEPYYDLTSNAVLTFIYFVVCIIGLCGNTLVIYVILRYAKMKTITNIYILNLAIADELFMLGLPFLAMQVALVHWPFGKAICRVVMTVDGINQFTSIFCLTVMSIDRYLAVVHPIKSAKWRRPRTAKMITMAVWGVSLLVILPIMIYAGLRSNQWGRSSCTINWPGESGAWYTGFIIYTFILGFLVPLTIICLCYLFIIIKVKSSGIRVGSSKRKKSEKKVTRMVSIVVAVFIFCWLPFYIFNVSSVSMAISPTPALKGMFDFVVVLTYANSCANPILYAFLSDNFKKSFQNVLCLVKVSGTDDGERSDSKQDKSRLNETTETQRTLLNGDLQTSI
UniProtP30874
Protein Data BankN/A
GPCR-HGmod modelP30874
3D structure modelThis predicted structure model is from GPCR-EXP P30874.
BioLiPN/A
Therapeutic Target DatabaseT53024
ChEMBLCHEMBL1804
IUPHAR356
DrugBankBE0003528

Ligand

NameCHEMBL1223226
Molecular formulaC51H68N10O10
IUPAC name(2S,5R,8S,11S,14S,16Z,19S)-8-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-11-[(1R)-1-hydroxyethyl]-5-(1H-indol-2-ylmethyl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicos-16-ene-14-carboxamide
Molecular weight981.165
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP1.7
SynonymsBDBM50325033
(2S,5R,8S,11S,14S,19S,Z)-5-((1H-indol-2-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-8-(4-aminobutyl)-2-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-11-((R)-1-hydroxyethyl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicos-16-ene-14-carboxamide
Inchi KeyBBXDZDQHRJCMJF-IOPUJYQWSA-N
Inchi IDInChI=1S/C51H68N10O10/c1-30(63)43(29-62)60-47(67)39-22-12-11-21-38(55-45(65)36(53)25-32-15-5-3-6-16-32)46(66)58-41(26-33-17-7-4-8-18-33)49(69)59-42(28-35-27-34-19-9-10-20-37(34)54-35)50(70)56-40(23-13-14-24-52)48(68)61-44(31(2)64)51(71)57-39/h3-12,15-20,27,30-31,36,38-44,54,62-64H,13-14,21-26,28-29,52-53H2,1-2H3,(H,55,65)(H,56,70)(H,57,71)(H,58,66)(H,59,69)(H,60,67)(H,61,68)/b12-11-/t30-,31-,36-,38+,39+,40+,41+,42-,43-,44+/m1/s1
PubChem CID49865341
ChEMBLCHEMBL1223226
IUPHARN/A
BindingDB50325033
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
IC5044.0 nMPMID20666484BindingDB,ChEMBL

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