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

NameCHEMBL268112
Molecular formulaC67H79N11O9
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1182.44
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP5.6
SynonymsBDBM82468
D-Phe-Phe-Tyr-D-Trp-Lys-Val-Phe-D-Phe-NH2
BIM 23055
Inchi KeyCTEJKVVIDWXBLP-WBIJPJKZSA-N
Inchi IDInChI=1S/C67H79N11O9/c1-42(2)59(67(87)77-57(38-46-25-13-6-14-26-46)63(83)73-54(60(70)80)36-44-21-9-4-10-22-44)78-62(82)53(29-17-18-34-68)72-66(86)58(40-48-41-71-52-28-16-15-27-50(48)52)76-65(85)56(39-47-30-32-49(79)33-31-47)75-64(84)55(37-45-23-11-5-12-24-45)74-61(81)51(69)35-43-19-7-3-8-20-43/h3-16,19-28,30-33,41-42,51,53-59,71,79H,17-18,29,34-40,68-69H2,1-2H3,(H2,70,80)(H,72,86)(H,73,83)(H,74,81)(H,75,84)(H,76,85)(H,77,87)(H,78,82)/t51-,53+,54-,55+,56+,57+,58-,59+/m1/s1
PubChem CID16135578
ChEMBLN/A
IUPHARN/A
BindingDB82468
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
50024Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555662Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
555663Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
50022Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
50025Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
50027Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
459671Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
50023Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
50026Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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