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

NameCHEMBL3911605
Molecular formulaC29H24FNO5
IUPAC name4-[[[4-(2-fluorophenoxy)benzoyl]-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid
Molecular weight485.511
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM251678
SCHEMBL16506485
US9464060, 14
Inchi KeyJAYQKBXYZDGMIP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H24FNO5/c1-35-24-14-8-21(9-15-24)19-31(18-20-6-10-23(11-7-20)29(33)34)28(32)22-12-16-25(17-13-22)36-27-5-3-2-4-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
PubChem CID117902922
ChEMBLCHEMBL3911605
IUPHARN/A
BindingDB251678
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
539729Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
539730Lysophosphatidic acid receptor 5Q9H1C0LPAR5Homo sapiens (Human)372

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