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

NameMLS000082992
Molecular formulaC16H13FN6S
IUPAC name6-(4-fluorophenyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Molecular weight340.38
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.7
SynonymsAC1LDE28
CHEMBL1382951
MolPort-000-773-621
MolPort-002-632-238
HMS2276J06
[ Show all ]
Inchi KeyACVBVAZZTCFOQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H13FN6S/c17-10-6-4-9(5-7-10)13-8-24-16-21-20-15(23(16)22-13)14-11-2-1-3-12(11)18-19-14/h4-7H,1-3,8H2,(H,18,19)
PubChem CID665554
ChEMBLCHEMBL1382951
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1960Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1961Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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