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

NameCHEMBL193656
Molecular formulaC28H36N4
IUPAC nameN,N-dimethyl-4-[2-[[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]aniline
Molecular weight428.624
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50162396
Dimethyl-(4-{2-[2-phenyl-2-(4-phenyl-piperazin-1-yl)-ethylamino]-ethyl}-phenyl)-amine
SCHEMBL18840901
Inchi KeyBAQQNRHJCRAASN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H36N4/c1-30(2)26-15-13-24(14-16-26)17-18-29-23-28(25-9-5-3-6-10-25)32-21-19-31(20-22-32)27-11-7-4-8-12-27/h3-16,28-29H,17-23H2,1-2H3
PubChem CID44401188
ChEMBLCHEMBL193656
IUPHARN/A
BindingDB50162396
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19086C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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