Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL143825
Molecular formulaC23H27ClN2O
IUPAC name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile
Molecular weight382.932
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsSCHEMBL9107267
BDBM50082699
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-methyl-2-phenyl-pentanenitrile
Inchi KeyAICXYDNEZWNITF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27ClN2O/c1-22(18-25,19-6-3-2-4-7-19)12-5-15-26-16-13-23(27,14-17-26)20-8-10-21(24)11-9-20/h2-4,6-11,27H,5,12-17H2,1H3
PubChem CID10786180
ChEMBLCHEMBL143825
IUPHARN/A
BindingDB50082699
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
6109C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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