Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER 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 WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL231713
Molecular formulaC25H19ClFNO2
IUPAC name(3aS,9R,9aR)-9-[(E)-2-[5-(3-chlorophenyl)pyridin-2-yl]ethenyl]-6-fluoro-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
Molecular weight419.88
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.5
SynonymsBDBM50212438
(3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-yl)vinyl)-7-fluoro-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
Inchi KeyAAWUYHSAVNUPEU-SRFLYUCYSA-N
Inchi IDInChI=1S/C25H19ClFNO2/c26-18-3-1-2-15(10-18)16-4-6-20(28-13-16)7-9-22-21-8-5-19(27)11-17(21)12-23-24(22)14-30-25(23)29/h1-11,13,22-24H,12,14H2/b9-7+/t22-,23-,24+/m0/s1
PubChem CID44432779
ChEMBLCHEMBL231713
IUPHARN/A
BindingDB50212438
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
586Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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