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

NameCHEMBL3910049
Molecular formulaC26H24FNO5
IUPAC name4-[[cyclopropylmethyl-[2-fluoro-4-(2-methoxyphenoxy)benzoyl]amino]methyl]benzoic acid
Molecular weight449.478
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM251730
SCHEMBL16506755
US9464060, 66
Inchi KeyKBJKDHCJCODDDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24FNO5/c1-32-23-4-2-3-5-24(23)33-20-12-13-21(22(27)14-20)25(29)28(15-17-6-7-17)16-18-8-10-19(11-9-18)26(30)31/h2-5,8-14,17H,6-7,15-16H2,1H3,(H,30,31)
PubChem CID117903143
ChEMBLCHEMBL3910049
IUPHARN/A
BindingDB251730
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
540222Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
540223Lysophosphatidic acid receptor 5Q9H1C0LPAR5Homo sapiens (Human)372

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