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

You can:

Ligand

NameCHEMBL457872
Molecular formulaC17H21N5O2
IUPAC nametert-butyl 4-(1-pyridin-2-yltriazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Molecular weight327.388
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP1.7
SynonymsBDBM50273895
SCHEMBL12975531
tert-Butyl-4-[1-pyridin-2-yl-1H-1,2,3-triazol-4-yl]-3,6-dihydropyridine-1(2H)-carboxylate
Inchi KeyGTQLSJCVKBHBDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-10-7-13(8-11-21)14-12-22(20-19-14)15-6-4-5-9-18-15/h4-7,9,12H,8,10-11H2,1-3H3
PubChem CID44588460
ChEMBLCHEMBL457872
IUPHARN/A
BindingDB50273895
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
105071Metabotropic glutamate receptor 1P97772Grm1Mus musculus (Mouse)1199
105073Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
105072Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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