Zhang Lab

University of Michigan

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

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	Ethyl 4-(4-(4-chlorophenyl)thiazol-2-yl)piperazine-1-carboxylate
Molecular formula	C16H18ClN3O2S
IUPAC name	ethyl 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
Molecular weight	351.849
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	Cambridge id 6979744 MLS000112678 ZINC1083195 Oprea1_289661 AC1LOSPE HMS2505A23 SR-01000453009-1 MLS002541117 ethyl 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate SMR000108588 AKOS003272411 MCULE-5199602449 ST025480 CHEMBL1550204 MolPort-001-510-236 346662-91-7 ethyl 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazinecarboxylate SR-01000453009 [ Show all ]
Inchi Key	AGQZNIGGIBWSLJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18ClN3O2S/c1-2-22-16(21)20-9-7-19(8-10-20)15-18-14(11-23-15)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3
PubChem CID	1269494
ChEMBL	CHEMBL1550204
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
5132	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
5131	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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