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

NameVU0402481-1
Molecular formulaC17H15F2N3OS
IUPAC name3-amino-N-[(2,5-difluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Molecular weight347.384
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.1
Synonymscid_44176132
3-amino-N-[(2,5-difluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
BDBM48054
3-amino-N-(2,5-difluorobenzyl)-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide
N-(2,5-Difluorobenzyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
[ Show all ]
Inchi KeyDOMRFXCFPRIYBL-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H15F2N3OS/c1-8-5-9(2)22-17-13(8)14(20)15(24-17)16(23)21-7-10-6-11(18)3-4-12(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)
PubChem CID44176132
ChEMBLN/A
IUPHARN/A
BindingDB48054
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459817Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417