Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

NameCHEMBL52625
Molecular formulaC21H20FN5
IUPAC name7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
Molecular weight361.424
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL8569998
BDBM50408164
6-[4-(4-Fluorobenzyl)-1-piperazinyl]pyrido[3,2-e]pyrrolo[1,2-a]pyrazine
Inchi KeyHSLUKGWVBNRWNC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20FN5/c22-17-7-5-16(6-8-17)15-25-11-13-26(14-12-25)21-19-4-2-10-27(19)20-18(24-21)3-1-9-23-20/h1-10H,11-15H2
PubChem CID10666301
ChEMBLCHEMBL52625
IUPHARN/A
BindingDB50408164
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
1229195-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1229205-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1229215-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
1229185-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
1229225-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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