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

NameCHEMBL427137
Molecular formulaC27H38N2O
IUPAC nameN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N,3,3-trimethylbutanamide
Molecular weight406.614
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.7
SynonymsBDBM50156991
N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-3,3,N-trimethyl-butyramide
Butanamide, N-[1-(3,3-diphenylpropyl)-4-piperidinyl]-N,3,3-trimethyl-
CTK3E2285
821007-61-8
[ Show all ]
Inchi KeyAJPBIERWPWHRHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H38N2O/c1-27(2,3)21-26(30)28(4)24-15-18-29(19-16-24)20-17-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,24-25H,15-21H2,1-4H3
PubChem CID44392109
ChEMBLCHEMBL427137
IUPHARN/A
BindingDB50156991
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
7097C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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