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

NameCHEMBL1956442
Molecular formulaC19H17N3OS
IUPAC nameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1H-indol-2-yl)acetamide
Molecular weight335.425
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50366005
Inchi KeyHDMLPWVVYBXYFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17N3OS/c20-11-15-14-6-2-4-8-17(14)24-19(15)22-18(23)10-13-9-12-5-1-3-7-16(12)21-13/h1,3,5,7,9,21H,2,4,6,8,10H2,(H,22,23)
PubChem CID57393990
ChEMBLCHEMBL1956442
IUPHARN/A
BindingDB50366005
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
112099Vasoactive intestinal polypeptide receptor 1P30083Vipr1Rattus norvegicus (Rat)459

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