Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER D-I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK D-QUARK DRfold DRfold2 LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO ATGO 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 TCRfinder

TM-score TM-align US-align MM-align RNA-align NW-align LS-align TM-search EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA DeepMSA2 rMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP HPmod 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

NameSCHEMBL1279268
Molecular formulaC22H27NO4S
IUPAC name4-[[benzyl-(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
Molecular weight401.521
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM211090
4-((N-benzyl-4-methylphenylsulfonamido)methyl)cyclohexanecarboxylic acid
US9247759, 5-11
AWXNGVLQQNVMNB-UHFFFAOYSA-N
CHEMBL3895068
[ Show all ]
Inchi KeyAWXNGVLQQNVMNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27NO4S/c1-17-7-13-21(14-8-17)28(26,27)23(15-18-5-3-2-4-6-18)16-19-9-11-20(12-10-19)22(24)25/h2-8,13-14,19-20H,9-12,15-16H2,1H3,(H,24,25)
PubChem CID25205358
ChEMBLCHEMBL3895068
IUPHARN/A
BindingDB211090
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
519760Taste receptor type 2 member 14Q9NYV8TAS2R14Homo sapiens (Human)317

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