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 ●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

NameCHEMBL198313
Molecular formulaC28H28Cl2N2O
IUPAC name5-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile
Molecular weight479.445
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50027217
5-[4-(3,4-Dichloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentanenitrile
Inchi KeyAEOKEWSIBHLUFL-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28Cl2N2O/c29-25-13-12-24(20-26(25)30)28(33)15-18-32(19-16-28)17-7-14-27(21-31,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20,33H,7,14-19H2
PubChem CID11634351
ChEMBLCHEMBL198313
IUPHARN/A
BindingDB50027217
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
3691G-protein coupled receptor homolog US28P69332US28Human cytomegalovirus (strain AD169) (HHV-5)354

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417