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

NameSCHEMBL1279003
Molecular formulaC21H24FNO4S
IUPAC name4-[[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
Molecular weight405.484
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsDESXZXZGHZRVNQ-UHFFFAOYSA-N
4-((N-(4-fluorobenzyl)phenylsulfonamido)methyl)-cyclohexanecarboxylic acid
CHEMBL3946036
US9247759, 5-22
BDBM211101
Inchi KeyDESXZXZGHZRVNQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24FNO4S/c22-19-12-8-17(9-13-19)15-23(28(26,27)20-4-2-1-3-5-20)14-16-6-10-18(11-7-16)21(24)25/h1-5,8-9,12-13,16,18H,6-7,10-11,14-15H2,(H,24,25)
PubChem CID25205186
ChEMBLCHEMBL3946036
IUPHARN/A
BindingDB211101
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
519961Taste receptor type 2 member 14Q9NYV8TAS2R14Homo sapiens (Human)317

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