Home Research Services Publications People Teaching Job Opening Facilities 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

NameGR 103691
Molecular formulaC30H35N3O3
IUPAC name4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
Molecular weight485.628
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
Synonyms162408-66-4
GR-103691
UNII-0Y0CM1A77L
4'-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1'-biphenyl]-4-carboxamide
0Y0CM1A77L
[ Show all ]
Inchi KeyJARNORYOPMINDY-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
PubChem CID4302960
ChEMBLCHEMBL294747
IUPHARN/A
BindingDB50342717
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1462165-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1462185-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
1462175-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
146219Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
146215D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
146213D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
146214D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
146212D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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