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

NameCHEMBL3577178
Molecular formulaC24H40NO9P
IUPAC name(2S)-2-amino-3-[hydroxy-[3-[3-(2-nonoxyphenyl)propanoyloxy]propoxy]phosphoryl]oxypropanoic acid
Molecular weight517.556
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP1.5
SynonymsBDBM50096362
Inchi KeyOXBAEVIAVYNLMH-NRFANRHFSA-N
Inchi IDInChI=1S/C24H40NO9P/c1-2-3-4-5-6-7-10-16-31-22-13-9-8-12-20(22)14-15-23(26)32-17-11-18-33-35(29,30)34-19-21(25)24(27)28/h8-9,12-13,21H,2-7,10-11,14-19,25H2,1H3,(H,27,28)(H,29,30)/t21-/m0/s1
PubChem CID122177524
ChEMBLCHEMBL3577178
IUPHARN/A
BindingDB50096362
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
494195Probable G-protein coupled receptor 174Q9BXC1GPR174Homo sapiens (Human)333
494194Probable G-protein coupled receptor 34Q9UPC5GPR34Homo sapiens (Human)381
494196Putative P2Y purinoceptor 10O00398P2RY10Homo sapiens (Human)339

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