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

I-TASSER C-I-TASSER QUARK C-QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH Threapp 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 TripletRes WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

NameMLS000569792
Molecular formulaC19H19N3OS
IUPAC nameN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
Molecular weight337.441
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.0
SynonymsHMS2340J11
AKOS007984950
MolPort-004-051-403
CHEMBL1378687
SMR000155232
[ Show all ]
Inchi KeyBRGWWSLTVYPNBG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N3OS/c23-18(11-9-10-11)22-19-16(12-5-1-4-8-15(12)24-19)17-20-13-6-2-3-7-14(13)21-17/h2-3,6-7,11H,1,4-5,8-10H2,(H,20,21)(H,22,23)
PubChem CID2090677
ChEMBLCHEMBL1378687
IUPHARN/A
BindingDB61804
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
30977Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
30978Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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