Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL156369
Molecular formulaC19H21ClN4
IUPAC name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-methylpyrazolo[1,5-a]pyridine
Molecular weight340.855
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.5
Synonyms3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4-methyl-pyrazolo[1,5-a]pyridine
3-[4-(4-Chlorophenyl)piperazinomethyl]-4-methylpyrazolo[1,5-a]pyridine
4-(4-Chloro-phenyl)-1-(4-methyl-pyrazolo[1,5-a]pyridin-3-ylmethyl)-piperazin-1-ium
BDBM50109953
Inchi KeyFVQOIDZBAPLYGQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21ClN4/c1-15-3-2-8-24-19(15)16(13-21-24)14-22-9-11-23(12-10-22)18-6-4-17(20)5-7-18/h2-8,13H,9-12,14H2,1H3
PubChem CID44270444
ChEMBLCHEMBL156369
IUPHARN/A
BindingDB50109953
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
88408D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
88409D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
88407D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
88410D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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