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

NameCHEMBL92452
Molecular formulaC24H34NO6P
IUPAC name[2-(octanoylamino)-3-(4-phenylmethoxyphenyl)propyl] dihydrogen phosphate
Molecular weight463.511
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.2
SynonymsBDBM50146228
Phosphoric acid mono-[3-(4-benzyloxy-phenyl)-2-octanoylamino-propyl] ester
Inchi KeyKVCPOUHIDCPFLV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34NO6P/c1-2-3-4-5-9-12-24(26)25-22(19-31-32(27,28)29)17-20-13-15-23(16-14-20)30-18-21-10-7-6-8-11-21/h6-8,10-11,13-16,22H,2-5,9,12,17-19H2,1H3,(H,25,26)(H2,27,28,29)
PubChem CID44325214
ChEMBLCHEMBL92452
IUPHARN/A
BindingDB50146228
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
179006Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
179007Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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