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

NameCHEMBL232997
Molecular formulaC15H19NO4
IUPAC name2-[8-[(2R)-2-aminopropyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl]acetic acid
Molecular weight277.32
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP-1.1
SynonymsBDBM50210090
[8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b'']difuran-4-yl]-acetic acid
Inchi KeyAMSVLZBGRDULNS-MRVPVSSYSA-N
Inchi IDInChI=1S/C15H19NO4/c1-8(16)6-11-9-2-4-20-15(9)12(7-13(17)18)10-3-5-19-14(10)11/h8H,2-7,16H2,1H3,(H,17,18)/t8-/m1/s1
PubChem CID44431692
ChEMBLCHEMBL232997
IUPHARN/A
BindingDB50210090
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
92225-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471

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