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

NameCHEMBL575161
Molecular formulaC25H20N2O4S
IUPAC name2-[[2-(1-benzothiophene-2-carbonylamino)benzoyl]amino]-3-phenylpropanoic acid
Molecular weight444.505
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP5.5
SynonymsBDBM50298596
(+/-)-2-(2-(benzo[b]thiophene-2-carboxamido)benzamido)-3-phenylpropanoic acid
Inchi KeyAFTWTNFGJVGUOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20N2O4S/c28-23(27-20(25(30)31)14-16-8-2-1-3-9-16)18-11-5-6-12-19(18)26-24(29)22-15-17-10-4-7-13-21(17)32-22/h1-13,15,20H,14H2,(H,26,29)(H,27,28)(H,30,31)
PubChem CID11442153
ChEMBLCHEMBL575161
IUPHARN/A
BindingDB50298596
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4491Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444

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