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

NameCHEMBL232418
Molecular formulaC27H27Cl2N3O2
IUPAC name2,2-bis(4-chlorophenyl)-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
Molecular weight496.432
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50423090
Inchi KeyMOAKSXYTYAKBNI-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27Cl2N3O2/c28-22-8-4-20(5-9-22)26(21-6-10-23(29)11-7-21)27(34)31-24-13-16-32(17-14-24)25(33)12-3-19-2-1-15-30-18-19/h1-2,4-11,15,18,24,26H,3,12-14,16-17H2,(H,31,34)
PubChem CID44430516
ChEMBLCHEMBL232418
IUPHARN/A
BindingDB50423090
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
210230C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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