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

NameCHEMBL3920905
Molecular formulaC29H24FNO4
IUPAC name4-[[benzyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]methyl]benzoic acid
Molecular weight469.512
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
SynonymsSCHEMBL16507246
US9464060, 53
BDBM251717
Inchi KeyISKOLAMFIRHJSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H24FNO4/c30-27-9-5-4-8-25(27)20-35-26-16-14-23(15-17-26)28(32)31(18-21-6-2-1-3-7-21)19-22-10-12-24(13-11-22)29(33)34/h1-17H,18-20H2,(H,33,34)
PubChem CID117903513
ChEMBLCHEMBL3920905
IUPHARN/A
BindingDB251717
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
539564Lysophosphatidic acid receptor 5Q9H1C0LPAR5Homo sapiens (Human)372

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