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

NameCHEMBL3815090
Molecular formulaC30H44NO9P
IUPAC name(2S)-2-amino-3-[hydroxy-[2-[3-(2-undecoxyphenyl)propanoyloxymethyl]phenoxy]phosphoryl]oxypropanoic acid
Molecular weight593.654
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP3.8
SynonymsBDBM50177123
SCHEMBL19136019
Inchi KeyUDMRSZRXXMZWJZ-SANMLTNESA-N
Inchi IDInChI=1S/C30H44NO9P/c1-2-3-4-5-6-7-8-9-14-21-37-27-17-12-10-15-24(27)19-20-29(32)38-22-25-16-11-13-18-28(25)40-41(35,36)39-23-26(31)30(33)34/h10-13,15-18,26H,2-9,14,19-23,31H2,1H3,(H,33,34)(H,35,36)/t26-/m0/s1
PubChem CID127051792
ChEMBLCHEMBL3815090
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
530880Probable G-protein coupled receptor 34Q9R1K6Gpr34Mus musculus (Mouse)375
530881Putative P2Y purinoceptor 10Q8BFU7P2ry10Mus musculus (Mouse)328

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