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

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

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

You can:

Ligand

NameCHEMBL3680825
Molecular formulaC29H22Cl2F3N3O3
IUPAC name3-[[5-[5-chloro-2-[[4-[2-chloro-4-(trifluoromethyl)phenyl]anilino]methyl]phenyl]pyridine-2-carbonyl]amino]propanoic acid
Molecular weight588.408
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP6.8
SynonymsSCHEMBL14055759
BDBM123633
US8748624, 147
Inchi KeyAALIRDCKWSMXGL-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H22Cl2F3N3O3/c30-21-6-1-18(24(14-21)19-4-10-26(37-16-19)28(40)35-12-11-27(38)39)15-36-22-7-2-17(3-8-22)23-9-5-20(13-25(23)31)29(32,33)34/h1-10,13-14,16,36H,11-12,15H2,(H,35,40)(H,38,39)
PubChem CID71060112
ChEMBLCHEMBL3680825
IUPHARN/A
BindingDB123633
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459237Glucagon receptorP47871GCGRHomo sapiens (Human)477

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