Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3422865
Molecular formulaC22H21N5O2S
IUPAC nameN-[3-cyano-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
Molecular weight419.503
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsN/A
Inchi KeyAVJMAVQUNBMJAO-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21N5O2S/c1-13(2)17-10-18(26-25-17)22(29)27-9-8-15-16(11-23)21(30-19(15)12-27)24-20(28)14-6-4-3-5-7-14/h3-7,10,13H,8-9,12H2,1-2H3,(H,24,28)(H,25,26)
PubChem CID118735949
ChEMBLCHEMBL3422865
IUPHARN/A
BindingDBN/A
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
442254Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
442253Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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