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 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

NameCHEMBL3577177
Molecular formulaC22H36NO9P
IUPAC name(2S)-2-amino-3-[3-[3-(2-heptoxyphenyl)propanoyloxy]propoxy-hydroxyphosphoryl]oxypropanoic acid
Molecular weight489.502
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP0.4
SynonymsBDBM50096444
Inchi KeyFMJWNEQNALGMKR-IBGZPJMESA-N
Inchi IDInChI=1S/C22H36NO9P/c1-2-3-4-5-8-14-29-20-11-7-6-10-18(20)12-13-21(24)30-15-9-16-31-33(27,28)32-17-19(23)22(25)26/h6-7,10-11,19H,2-5,8-9,12-17,23H2,1H3,(H,25,26)(H,27,28)/t19-/m0/s1
PubChem CID122177523
ChEMBLCHEMBL3577177
IUPHARN/A
BindingDB50096444
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
473007Probable G-protein coupled receptor 174Q9BXC1GPR174Homo sapiens (Human)333
473006Probable G-protein coupled receptor 34Q9UPC5GPR34Homo sapiens (Human)381
473005Putative P2Y purinoceptor 10O00398P2RY10Homo sapiens (Human)339

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417