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 DMFold 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

NameCHEMBL2435916
Molecular formulaC26H17F7N2O2S
IUPAC nameN-[[4-(2-fluorophenyl)-2-phenylpyridin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
Molecular weight554.483
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP6.5
SynonymsN/A
Inchi KeyAXLREWOYOXGTNE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H17F7N2O2S/c27-23-9-5-4-8-21(23)20-10-11-34-24(16-6-2-1-3-7-16)22(20)15-35-38(36,37)19-13-17(25(28,29)30)12-18(14-19)26(31,32)33/h1-14,35H,15H2
PubChem CID73353939
ChEMBLCHEMBL2435916
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16835G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218