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

NameCHEMBL2435927
Molecular formulaC20H13F7N2O2S
IUPAC nameN-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
Molecular weight478.385
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50441386
Inchi KeyCARUKZURMQHHGW-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H13F7N2O2S/c21-18-4-2-1-3-17(18)16-5-6-28-10-12(16)11-29-32(30,31)15-8-13(19(22,23)24)7-14(9-15)20(25,26)27/h1-10,29H,11H2
PubChem CID73349426
ChEMBLCHEMBL2435927
IUPHARN/A
BindingDB50441386
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37470G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
37471G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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