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

NameCHEMBL1085655
Molecular formulaC26H24FNO4
IUPAC name5-(4-fluorophenyl)-2-[3-(6-hydroxynaphthalen-2-yl)propanoylamino]cyclohexene-1-carboxylic acid
Molecular weight433.479
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP5.1
SynonymsBDBM50319101
5-(4-fluorophenyl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
Inchi KeyBPGVBGPOFUHPPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24FNO4/c27-21-8-4-17(5-9-21)20-7-11-24(23(15-20)26(31)32)28-25(30)12-2-16-1-3-19-14-22(29)10-6-18(19)13-16/h1,3-6,8-10,13-14,20,29H,2,7,11-12,15H2,(H,28,30)(H,31,32)
PubChem CID46890299
ChEMBLCHEMBL1085655
IUPHARN/A
BindingDB50319101
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
29545Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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