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

NameCHEMBL3577149
Molecular formulaC22H42NO8P
IUPAC name(2S)-2-amino-3-[3-[(Z)-hexadec-9-enoyl]oxypropoxy-hydroxyphosphoryl]oxypropanoic acid
Molecular weight479.551
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP2.0
SynonymsBDBM50096355
Inchi KeyCZDMDSMYEOVSIH-AQWUKCDYSA-N
Inchi IDInChI=1S/C22H42NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)29-17-15-18-30-32(27,28)31-19-20(23)22(25)26/h7-8,20H,2-6,9-19,23H2,1H3,(H,25,26)(H,27,28)/b8-7-/t20-/m0/s1
PubChem CID122177497
ChEMBLCHEMBL3577149
IUPHARN/A
BindingDB50096355
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
469613Probable G-protein coupled receptor 174Q9BXC1GPR174Homo sapiens (Human)333
469611Probable G-protein coupled receptor 34Q9UPC5GPR34Homo sapiens (Human)381
469612Putative P2Y purinoceptor 10O00398P2RY10Homo sapiens (Human)339

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