Zhang Lab

National University of Singapore

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 ●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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL156369
Molecular formula	C19H21ClN4
IUPAC name	3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-methylpyrazolo[1,5-a]pyridine
Molecular weight	340.855
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.5
Synonyms	BDBM50109953 4-(4-Chloro-phenyl)-1-(4-methyl-pyrazolo[1,5-a]pyridin-3-ylmethyl)-piperazin-1-ium 3-[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
Inchi Key	FVQOIDZBAPLYGQ-UHFFFAOYSA-N
Inchi ID	InChI=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 CID	44270444
ChEMBL	CHEMBL156369
IUPHAR	N/A
BindingDB	50109953
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
88408	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
88409	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
88407	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
88410	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417