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	CBDivE_014929
Molecular formula	C18H21FN2O
IUPAC name	1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine
Molecular weight	300.377
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.4
Synonyms	SR-01000201681 AKOS003975214 MolPort-002-140-745 AB00077311-01 SR-01000201681-1 Cambridge id 5260353 CHEMBL255595 1-(4-Fluorophenyl)-4-(3-methoxybenzyl)piperazine Oprea1_725025 AC1LG0PJ ZINC53021613 MCULE-1349240249 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine [ Show all ]
Inchi Key	AQBOICQBLRHHOK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21FN2O/c1-22-18-4-2-3-15(13-18)14-20-9-11-21(12-10-20)17-7-5-16(19)6-8-17/h2-8,13H,9-12,14H2,1H3
PubChem CID	763287
ChEMBL	CHEMBL255595
IUPHAR	N/A
BindingDB	N/A
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
11554	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
442154	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
11555	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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