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

NameCHEMBL3577171
Molecular formulaC26H44NO10P
IUPAC name(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[3-(2-undecoxyphenyl)propanoyloxy]propoxy]phosphoryl]oxypropanoic acid
Molecular weight561.609
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP1.6
SynonymsBDBM50096359
Inchi KeyUGPFSBZYXQNTFH-PKTZIBPZSA-N
Inchi IDInChI=1S/C26H44NO10P/c1-2-3-4-5-6-7-8-9-12-17-34-24-14-11-10-13-21(24)15-16-25(29)35-18-22(28)19-36-38(32,33)37-20-23(27)26(30)31/h10-11,13-14,22-23,28H,2-9,12,15-20,27H2,1H3,(H,30,31)(H,32,33)/t22-,23+/m1/s1
PubChem CID122177517
ChEMBLCHEMBL3577171
IUPHARN/A
BindingDB50096359
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
504462Probable G-protein coupled receptor 174Q9BXC1GPR174Homo sapiens (Human)333
504461Probable G-protein coupled receptor 34Q9UPC5GPR34Homo sapiens (Human)381
504463Putative P2Y purinoceptor 10O00398P2RY10Homo sapiens (Human)339

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