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

NameCHEMBL3577140
Molecular formulaC26H50NO8P
IUPAC name(2S)-2-amino-3-[[2,2-dimethyl-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Molecular weight535.659
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.9
SynonymsBDBM50096351
Inchi KeyNKVRGJWGMLNVHA-DGVDTQEHSA-N
Inchi IDInChI=1S/C26H50NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)33-21-26(2,3)22-35-36(31,32)34-20-23(27)25(29)30/h11-12,23H,4-10,13-22,27H2,1-3H3,(H,29,30)(H,31,32)/b12-11-/t23-/m0/s1
PubChem CID122177492
ChEMBLCHEMBL3577140
IUPHARN/A
BindingDB50096351
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
490917Probable G-protein coupled receptor 34Q9UPC5GPR34Homo sapiens (Human)381
490918Putative P2Y purinoceptor 10O00398P2RY10Homo sapiens (Human)339

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