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

NameCHEMBL351183
Molecular formulaC18H24N4O2S
IUPAC nameN-[4-[(1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide
Molecular weight360.476
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.1
SynonymsBDBM50001894
N-[4-[(1-Phenyl-2-piperazinyl)methylamino]phenyl]methanesulfonamide
SCHEMBL9596252
N-[4-[[(1-Phenylpiperazin-2-yl)methyl]amino]phenyl]methanesulfonamide
AFYXROQLTFFXOK-UHFFFAOYSA-N
[ Show all ]
Inchi KeyAFYXROQLTFFXOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N4O2S/c1-25(23,24)21-16-9-7-15(8-10-16)20-14-18-13-19-11-12-22(18)17-5-3-2-4-6-17/h2-10,18-21H,11-14H2,1H3
PubChem CID14998853
ChEMBLCHEMBL351183
IUPHARN/A
BindingDB50001894
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4638Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
4639Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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