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

NameCHEMBL360397
Molecular formulaC33H51N2O6P
IUPAC name[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-(pyridin-4-ylmethoxy)phenyl]propyl] dihydrogen phosphate
Molecular weight602.753
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP7.7
SynonymsBDBM50149999
Phosphoric acid mono-{2-((Z)-(S)-octadec-9-enoylamino)-3-[4-(pyridin-4-ylmethoxy)-phenyl]-propyl} ester
Inchi KeyJKKRVAXVBXZCTF-KKUMVYOXSA-N
Inchi IDInChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(36)35-31(28-41-42(37,38)39)26-29-18-20-32(21-19-29)40-27-30-22-24-34-25-23-30/h9-10,18-25,31H,2-8,11-17,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m0/s1
PubChem CID44392778
ChEMBLCHEMBL360397
IUPHARN/A
BindingDB50149999
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
153099Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
153098Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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