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

NameBDBM84626
Molecular formulaC55H64N10O8S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-7-methyl-N-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1057.3
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP4.3
SynonymsN/A
Inchi KeyVKSKHUNZTDJMGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C55H64N10O8S2/c1-33-49(67)64-47(51(69)59-29-37-16-11-15-36-14-5-6-17-40(36)37)31-74-75-32-48(65-50(68)42(57)26-34-12-3-2-4-13-34)55(73)62-45(27-35-21-23-39(66)24-22-35)53(71)63-46(28-38-30-58-43-19-8-7-18-41(38)43)54(72)61-44(52(70)60-33)20-9-10-25-56/h2-8,11-19,21-24,30,33,42,44-48,58,66H,9-10,20,25-29,31-32,56-57H2,1H3,(H,59,69)(H,60,70)(H,61,72)(H,62,73)(H,63,71)(H,64,67)(H,65,68)
PubChem CID57339791
ChEMBLN/A
IUPHARN/A
BindingDB84626
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.

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
357455Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556954Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556955Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
357453Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
357456Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
357452Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
357457Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
357454Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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