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

NameCHEMBL442605
Molecular formulaC28H35N5O3
IUPAC name(2S)-2-[(4R)-4-acetamido-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-2-yl]-6-amino-N-(2-phenylethyl)hexanamide
Molecular weight489.62
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50254259
(5S)-5-[(4R)-4-(acetylamino)-3-oxo-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]-6-oxo-6-[(2-phenylethyl)amino]hexan-1-aminium trifluoroacetate
CHEMBL1185941
Inchi KeyBZBKOTKAPXOMFC-RSXGOPAZSA-N
Inchi IDInChI=1S/C28H35N5O3/c1-19(34)31-24-17-22-21-11-5-6-12-23(21)32-25(22)18-33(28(24)36)26(13-7-8-15-29)27(35)30-16-14-20-9-3-2-4-10-20/h2-6,9-12,24,26,32H,7-8,13-18,29H2,1H3,(H,30,35)(H,31,34)/t24-,26+/m1/s1
PubChem CID25188780
ChEMBLN/A
IUPHARN/A
BindingDB50254259
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36288Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
36289Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
36290Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
36291Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
36292Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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