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

NameCHEMBL396262
Molecular formulaC28H35FN2O2
IUPAC name2-cyclohexyl-N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
Molecular weight450.598
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50423080
Inchi KeyFFBSHMPPTOAKJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H35FN2O2/c29-25-14-8-7-9-21(25)15-16-26(32)31-19-17-24(18-20-31)30-28(33)27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1,3-4,7-11,14,23-24,27H,2,5-6,12-13,15-20H2,(H,30,33)
PubChem CID44430558
ChEMBLCHEMBL396262
IUPHARN/A
BindingDB50423080
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
76848C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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