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

NameCHEMBL356764
Molecular formulaC22H24Cl2N2O
IUPAC name2-(2-chlorophenyl)-5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentanenitrile
Molecular weight403.347
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL9107609
BDBM50082707
2-(2-Chloro-phenyl)-5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-pentanenitrile
Inchi KeyAAGZGAWWUCIKSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24Cl2N2O/c23-19-9-7-18(8-10-19)22(27)11-14-26(15-12-22)13-3-4-17(16-25)20-5-1-2-6-21(20)24/h1-2,5-10,17,27H,3-4,11-15H2
PubChem CID10501338
ChEMBLCHEMBL356764
IUPHARN/A
BindingDB50082707
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
196C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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