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
SpeciesRattus norvegicus (Rat)
GeneSstr5
SynonymSOMATO
SS-5-R
SS5-R
SS5R
SST5 receptor
DiseaseN/A for non-human GPCRs
Length363
Amino acid sequenceMEPLSLASTPSWNASAASSGNHNWSLVGSASPMGARAVLVPVLYLLVCTVGLSGNTLVIYVVLRHAKMKTVTNVYILNLAVADVLFMLGLPFLATQNAVVSYWPFGSFLCRLVMTLDGINQFTSIFCLMVMSVDRYLAVVHPLRSARWRRPRVAKMASAAVWVFSLLMSLPLLVFADVQEGWGTCNLSWPEPVGLWGAAFITYTSVLGFFGPLLVICLCYLLIVVKVKAAGMRVGSSRRRRSEPKVTRMVVVVVLVFVGCWLPFFIVNIVNLAFTLPEEPTSAGLYFFVVVLSYANSCANPLLYGFLSDNFRQSFRKVLCLRRGYGMEDADAIEPRPDKSGRPQATLPTRSCEANGLMQTSRI
UniProtP30938
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4318
IUPHAR359
DrugBankN/A

Ligand

NameBIM-23027
Molecular formulaC43H54N8O7
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-6-ethyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular weight794.954
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP3.5
Synonymscyclo(N-Me-Ala-Tyr-d-Trp-Lys-Abu-Phe)
BIM 23027
N-Methylcyclo[L-Ala-L-Tyr-D-Trp-L-Lys-L-Abu-L-Phe-]
BDBM82455
Inchi KeySKOFEUKLEYXDDV-GXTZDVISSA-N
Inchi IDInChI=1S/C43H54N8O7/c1-4-32-39(54)50-37(23-27-12-6-5-7-13-27)43(58)51(3)26(2)38(53)48-35(22-28-17-19-30(52)20-18-28)41(56)49-36(24-29-25-45-33-15-9-8-14-31(29)33)42(57)47-34(40(55)46-32)16-10-11-21-44/h5-9,12-15,17-20,25-26,32,34-37,45,52H,4,10-11,16,21-24,44H2,1-3H3,(H,46,55)(H,47,57)(H,48,53)(H,49,56)(H,50,54)/t26-,32-,34-,35-,36+,37-/m0/s1
PubChem CID9940596
ChEMBLN/A
IUPHARN/A
BindingDB82455
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6.16 nMPMID7870182BindingDB

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