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

NameCHEMBL246527
Molecular formulaC23H23ClN2O5
IUPAC name5-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]pentanoic acid
Molecular weight442.896
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50211646
SCHEMBL4023746
5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)phenyl)pentanoic acid
Inchi KeyJXCPADMQNWAIJT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClN2O5/c1-15(18-7-3-4-8-19(18)24)31-23(29)25-20-14-30-26-22(20)17-12-10-16(11-13-17)6-2-5-9-21(27)28/h3-4,7-8,10-15H,2,5-6,9H2,1H3,(H,25,29)(H,27,28)
PubChem CID44441093
ChEMBLCHEMBL246527
IUPHARN/A
BindingDB50211646
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
162205Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
162206Lysophosphatidic acid receptor 1P61794Lpar1Rattus norvegicus (Rat)364

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