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

NameCHEMBL191411
Molecular formulaC34H54NO6P
IUPAC name[(2S)-2-(octadecanoylamino)-3-(4-phenylmethoxyphenyl)propyl] dihydrogen phosphate
Molecular weight603.781
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP9.7
SynonymsBDBM50170841
Phosphoric acid mono-[(S)-3-(4-benzyloxy-phenyl)-2-octadecanoylamino-propyl] ester
Inchi KeyHCYMVUMFVDONQB-YTTGMZPUSA-N
Inchi IDInChI=1S/C34H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(36)35-32(29-41-42(37,38)39)27-30-23-25-33(26-24-30)40-28-31-20-17-16-18-21-31/h16-18,20-21,23-26,32H,2-15,19,22,27-29H2,1H3,(H,35,36)(H2,37,38,39)/t32-/m0/s1
PubChem CID44397968
ChEMBLCHEMBL191411
IUPHARN/A
BindingDB50170841
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
111766Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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