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

NameCHEMBL1086031
Molecular formulaC27H25FN2O4
IUPAC name5-(2-fluoropyridin-3-yl)-2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid
Molecular weight460.505
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.7
SynonymsSCHEMBL13920616
BDBM50319108
5-(2-fluoropyridin-3-yl)-2-(3-(4''-hydroxybiphenyl-4-yl)propanamido)cyclohex-1-enecarboxylic acid
Inchi KeyCHKUMLQAKBGMAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25FN2O4/c28-26-22(2-1-15-29-26)20-10-13-24(23(16-20)27(33)34)30-25(32)14-5-17-3-6-18(7-4-17)19-8-11-21(31)12-9-19/h1-4,6-9,11-12,15,20,31H,5,10,13-14,16H2,(H,30,32)(H,33,34)
PubChem CID46890401
ChEMBLCHEMBL1086031
IUPHARN/A
BindingDB50319108
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
42079Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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