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

NameCHEMBL234641
Molecular formulaC23H23ClN2O
IUPAC nameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]naphthalene-1-carboxamide
Molecular weight378.9
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50203388
N-(1-(4-chlorobenzyl)piperidin-4-yl)-1-naphthamide
AKOS006597951
Inchi KeyAMSZGBUGZFGZJO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClN2O/c24-19-10-8-17(9-11-19)16-26-14-12-20(13-15-26)25-23(27)22-7-3-5-18-4-1-2-6-21(18)22/h1-11,20H,12-16H2,(H,25,27)
PubChem CID44431463
ChEMBLCHEMBL234641
IUPHARN/A
BindingDB50203388
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
92275-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
442067D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
9228D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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