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	2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine
Molecular formula	C15H17ClN4
IUPAC name	2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine
Molecular weight	288.779
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.6
Synonyms	2-[4-(2-chlorobenzyl)-1-piperazinyl]pyrimidine AKOS003971022 MolPort-002-140-765 CHEMBL1312518 SR-01000201703 AB00077338-01 MCULE-7509471462 Z46211313 2-[4-(2-chlorobenzyl)piperazino]pyrimidine BDBM114611 Oprea1_747867 2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}pyrimidine cid_750733 SR-01000201703-1 AC1LFARI MLS001008428 ZINC19536524 2-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]pyrimidine SMR000495962 414876-66-7 HMS2845O04 SR-01000201703-3 [ Show all ]
Inchi Key	DQMBJOGFJSJHGY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17ClN4/c16-14-5-2-1-4-13(14)12-19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-12H2
PubChem CID	750733
ChEMBL	CHEMBL1312518
IUPHAR	N/A
BindingDB	114611
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
66434	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
66435	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
66436	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
471120	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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