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

NameCHEMBL597601
Molecular formulaC20H21ClN4
IUPAC name1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine
Molecular weight352.866
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsSCHEMBL6014220
BDBM50308002
CTK1D9592
LASSBio-579
DTXSID10469649
[ Show all ]
Inchi KeyMHJWMIITIMUUKU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
PubChem CID11624518
ChEMBLCHEMBL597601
IUPHARN/A
BindingDB50308002
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2055125-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2055155-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2055135-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
205514Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
205518Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
205516D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
205517D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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