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

NameCHEMBL172091
Molecular formulaC23H21NO4
IUPAC name4-methoxy-3-[3-(4-phenylphenyl)propanoylamino]benzoic acid
Molecular weight375.424
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.1
Synonyms3-(3-Biphenyl-4-yl-propionylamino)-4-methoxy-benzoic acid
BDBM50291517
Inchi KeyBMSLDQARKSXODW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21NO4/c1-28-21-13-12-19(23(26)27)15-20(21)24-22(25)14-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-8,10-13,15H,9,14H2,1H3,(H,24,25)(H,26,27)
PubChem CID44385199
ChEMBLCHEMBL172091
IUPHARN/A
BindingDB50291517
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
27729Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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