Home Research COVID-19 Services Publications People Teaching Job Opening 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 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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

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

NameOprea1_767840
Molecular formulaC23H16FNO4
IUPAC name4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
Molecular weight389.382
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
SynonymsCHEMBL1611527
MolPort-000-293-827
HMS1805I08
ZINC957002
STK897190
[ Show all ]
Inchi KeyACTJLBIOEPLTIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H16FNO4/c1-28-17-12-8-14(9-13-17)21(26)22-20(18-4-2-3-5-19(18)29-22)25-23(27)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,25,27)
PubChem CID1192919
ChEMBLCHEMBL1611527
IUPHARN/A
BindingDBN/A
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
1891Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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