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

NameCHEMBL3948271
Molecular formulaC23H18ClF2NO4
IUPAC name4-[[[4-(2-chlorophenoxy)benzoyl]-(2,2-difluoroethyl)amino]methyl]benzoic acid
Molecular weight445.847
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.4
SynonymsZINC584598313
BDBM251742
SCHEMBL16506407
US9464060, 78
Inchi KeyNSVGYWDUGKCWRF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18ClF2NO4/c24-19-3-1-2-4-20(19)31-18-11-9-16(10-12-18)22(28)27(14-21(25)26)13-15-5-7-17(8-6-15)23(29)30/h1-12,21H,13-14H2,(H,29,30)
PubChem CID117902866
ChEMBLCHEMBL3948271
IUPHARN/A
BindingDB251742
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
542081Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
542082Lysophosphatidic acid receptor 5Q9H1C0LPAR5Homo sapiens (Human)372

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