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

NameCHEMBL3758803
Molecular formulaC33H37FN2O6
IUPAC name2-[4-[3-[(3-cyclohexyl-3-hydroxypyrrolidine-1-carbonyl)amino]-5-(4-fluorophenoxy)phenoxy]phenyl]-2-methylpropanoic acid
Molecular weight576.665
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP6.4
SynonymsSCHEMBL15911382
BDBM50143205
Inchi KeyDBQXXSHEVMMOHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H37FN2O6/c1-32(2,30(37)38)22-8-12-26(13-9-22)41-28-18-25(19-29(20-28)42-27-14-10-24(34)11-15-27)35-31(39)36-17-16-33(40,21-36)23-6-4-3-5-7-23/h8-15,18-20,23,40H,3-7,16-17,21H2,1-2H3,(H,35,39)(H,37,38)
PubChem CID90309435
ChEMBLCHEMBL3758803
IUPHARN/A
BindingDB50143205
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523154Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353

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