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

You can:

Ligand

NameCHEMBL184047
Molecular formulaC17H11FN6S
IUPAC name2-[2-(3-fluoro-5-pyridin-3-ylsulfanylphenyl)tetrazol-5-yl]pyridine
Molecular weight350.375
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50154971
SCHEMBL4700553
2-{2-[3-fluoro-5-(pyridin-3-ylthio)phenyl]-2H-tetrazol-5-yl}pyridine
Inchi KeyABVSSWQQOYSVAR-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H11FN6S/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H
PubChem CID10269322
ChEMBLCHEMBL184047
IUPHARN/A
BindingDB50154971
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1219Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
1220Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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