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	CHEMBL452618
Molecular formula	C17H20FN5O2
IUPAC name	tert-butyl 4-[1-(3-fluoropyridin-2-yl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
Molecular weight	345.378
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.8
Synonyms	BDBM50273898 tert-Butyl-4-[1-(2-fuluoropyridine-3-yl)-1H-1,2,3-triazol-4-yl]-3,6-dihydropyridine-1(2H)-carboxylate
Inchi Key	RKNNQMRATSYLMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20FN5O2/c1-17(2,3)25-16(24)22-9-6-12(7-10-22)14-11-23(21-20-14)15-13(18)5-4-8-19-15/h4-6,8,11H,7,9-10H2,1-3H3
PubChem CID	44588463
ChEMBL	CHEMBL452618
IUPHAR	N/A
BindingDB	50273898
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
298438	Metabotropic glutamate receptor 1	P97772	Grm1	Mus musculus (Mouse)	1199
298439	Metabotropic glutamate receptor 1	Q13255	GRM1	Homo sapiens (Human)	1194
298437	Metabotropic glutamate receptor 5	P41594	GRM5	Homo sapiens (Human)	1212

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