Home Research COVID-19 Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL234827
Molecular formulaC22H23N3O
IUPAC nameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]naphthalene-2-carboxamide
Molecular weight345.446
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50203370
N-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-2-naphthamide
Inchi KeyAOJMRZFTTRWBLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N3O/c26-22(19-9-8-17-5-1-2-6-18(17)15-19)24-20-10-13-25(14-11-20)16-21-7-3-4-12-23-21/h1-9,12,15,20H,10-11,13-14,16H2,(H,24,26)
PubChem CID44431492
ChEMBLCHEMBL234827
IUPHARN/A
BindingDB50203370
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
102925-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
10291D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
10293D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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