Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3920547
Molecular formulaC30H27NO4
IUPAC name4-[[benzyl-[4-(2,6-dimethylphenoxy)benzoyl]amino]methyl]benzoic acid
Molecular weight465.549
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.2
SynonymsSCHEMBL16507446
BDBM251710
ZINC584598144
US9464060, 46
Inchi KeyAFZOCQFROPJVCM-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H27NO4/c1-21-7-6-8-22(2)28(21)35-27-17-15-25(16-18-27)29(32)31(19-23-9-4-3-5-10-23)20-24-11-13-26(14-12-24)30(33)34/h3-18H,19-20H2,1-2H3,(H,33,34)
PubChem CID117903652
ChEMBLCHEMBL3920547
IUPHARN/A
BindingDB251710
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
536051Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
536052Lysophosphatidic acid receptor 5Q9H1C0LPAR5Homo sapiens (Human)372

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