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

NameCHEMBL1221545
Molecular formulaC25H31N3O3S
IUPAC nameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-sulfonamide
Molecular weight453.601
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50324890
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)naphthalene-2-sulfonamide
Inchi KeyAUMIZIKCBYPWJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O3S/c1-31-25-11-5-4-10-24(25)28-18-16-27(17-19-28)15-7-6-14-26-32(29,30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20,26H,6-7,14-19H2,1H3
PubChem CID49864336
ChEMBLCHEMBL1221545
IUPHARN/A
BindingDB50324890
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
147795-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
14778Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
14776D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
14777D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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