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

NameCHEMBL3401385
Molecular formulaC31H36FN3O5
IUPAC nameN-[3-(2-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide
Molecular weight549.643
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.6
SynonymsBDBM50065613
SCHEMBL15910997
Inchi KeyOOEWZQSZRIHFOW-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-23-17-25(39-24-11-9-22(32)10-12-24)19-26(18-23)40-28-8-6-5-7-27(28)29(33)36/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
PubChem CID90309100
ChEMBLCHEMBL3401385
IUPHARN/A
BindingDB50065613
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
451413Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
451414Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
451411Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
451412Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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