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

NameCHEMBL279646
Molecular formulaC25H30FN5O2
IUPAC name3-(5-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide
Molecular weight451.546
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50086110
3-(5-Fluoro-1H-indol-3-yl)-pyrrolidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
N-[3-(4-Methylpiperazino)-4-methoxyphenyl]-3-(5-fluoro-1H-indole-3-yl)pyrrolidine-1-carboxamide
Inchi KeyBMVCAMBJKNURKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30FN5O2/c1-29-9-11-30(12-10-29)23-14-19(4-6-24(23)33-2)28-25(32)31-8-7-17(16-31)21-15-27-22-5-3-18(26)13-20(21)22/h3-6,13-15,17,27H,7-12,16H2,1-2H3,(H,28,32)
PubChem CID10647243
ChEMBLCHEMBL279646
IUPHARN/A
BindingDB50086110
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
277995-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
277975-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
277985-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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