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

NameCHEMBL241212
Molecular formulaC24H29N3O2
IUPAC name4-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
Molecular weight391.515
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50221670
N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-4-ethynylbenzamide
Inchi KeyCQLNLMLQKSNCPW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N3O2/c1-3-20-10-12-21(13-11-20)24(28)25-14-6-7-15-26-16-18-27(19-17-26)22-8-4-5-9-23(22)29-2/h1,4-5,8-13H,6-7,14-19H2,2H3,(H,25,28)
PubChem CID44436600
ChEMBLCHEMBL241212
IUPHARN/A
BindingDB50221670
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
481925-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
48189D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
48191D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
48190D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
522936D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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