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:

Ligand

Namecycloantagonist SA
Molecular formulaC42H55N7O5
IUPAC name(3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-9-(1H-indol-3-ylmethyl)-3-[(1R)-1-phenoxyethyl]-1,4,7,10,13-pentazacyclononadecane-2,5,8,11-tetrone
Molecular weight737.946
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP4.8
SynonymsBDBM82471
c[Aha-Phe-D-Trp-Lys-Thr(Bzl)]
Inchi KeyUYLQYUAFNNCEIJ-GGMHJNBLSA-N
Inchi IDInChI=1S/C42H55N7O5/c1-29(54-32-18-8-5-9-19-32)38-42(53)45-25-15-3-2-14-24-44-36(26-30-16-6-4-7-17-30)40(51)48-37(27-31-28-46-34-21-11-10-20-33(31)34)41(52)47-35(39(50)49-38)22-12-13-23-43/h4-11,16-21,28-29,35-38,44,46H,2-3,12-15,22-27,43H2,1H3,(H,45,53)(H,47,52)(H,48,51)(H,49,50)/t29-,35+,36+,37-,38+/m1/s1
PubChem CID57339675
ChEMBLN/A
IUPHARN/A
BindingDB82471
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.

Known GPCRs

You can:

Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
348760Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556902Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556903Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
348761Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
348762Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
348763Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
348765Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
462218Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
348759Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
348764Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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