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

NameCHEMBL343666
Molecular formulaC16H13N3OS
IUPAC nameN-pyridin-3-yl-6,7-dihydrothieno[2,3-f]indole-5-carboxamide
Molecular weight295.36
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.7
SynonymsZINC6169
N-(3-Pyridinyl)-6,7-dihydro-5H-1-thia-5-aza-s-indacene-5-carboxamide
SCHEMBL8803151
BDBM50407991
L011717
Inchi KeyGHKQFJFLZKURFZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H13N3OS/c20-16(18-13-2-1-5-17-10-13)19-6-3-11-9-15-12(4-7-21-15)8-14(11)19/h1-2,4-5,7-10H,3,6H2,(H,18,20)
PubChem CID10851406
ChEMBLCHEMBL343666
IUPHARN/A
BindingDB50407991
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
965725-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
965705-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
965715-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460

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