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

NameMLS002232282
Molecular formulaC20H15F3N4O2
IUPAC name3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)aniline;2,2,2-trifluoroacetic acid
Molecular weight400.361
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogPNone
SynonymsCHEMBL3194697
HMS2226I24
SMR001307836
Inchi KeyAFAMRGDGXTWCJV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H14N4.C2HF3O2/c19-15-5-1-3-12(7-15)17-11-22-18-16(17)8-14(10-21-18)13-4-2-6-20-9-13;3-2(4,5)1(6)7/h1-11H,19H2,(H,21,22);(H,6,7)
PubChem CID53313113
ChEMBLCHEMBL3194697
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3994Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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