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

NameCHEMBL3814604
Molecular formulaC29H48NO10P
IUPAC name(2S)-2-amino-3-[hydroxy-[[(2R,3S)-3-[3-(2-undecoxyphenyl)propanoyloxy]oxan-2-yl]methoxy]phosphoryl]oxypropanoic acid
Molecular weight601.674
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50177147
SCHEMBL17309910
Inchi KeyBXPAEAOWDIDHFC-DOEKTCAHSA-N
Inchi IDInChI=1S/C29H48NO10P/c1-2-3-4-5-6-7-8-9-12-19-36-25-15-11-10-14-23(25)17-18-28(31)40-26-16-13-20-37-27(26)22-39-41(34,35)38-21-24(30)29(32)33/h10-11,14-15,24,26-27H,2-9,12-13,16-22,30H2,1H3,(H,32,33)(H,34,35)/t24-,26-,27+/m0/s1
PubChem CID78319811
ChEMBLCHEMBL3814604
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522590Probable G-protein coupled receptor 34Q9R1K6Gpr34Mus musculus (Mouse)375
522589Putative P2Y purinoceptor 10Q8BFU7P2ry10Mus musculus (Mouse)328

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