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

Name7-(5-bromo-2-fluorophenyl)-5-(5-bromothien-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Molecular formulaC15H9Br2FN4S
IUPAC name7-(5-bromo-2-fluorophenyl)-5-(5-bromothiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Molecular weight456.131
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.3
SynonymsMCULE-3109687907
AC1NY9G9
CHEMBL1372076
MLS000046921
AKOS002133373
[ Show all ]
Inchi KeyAIGPQSVZUISQKQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H9Br2FN4S/c16-8-1-2-10(18)9(5-8)12-6-11(13-3-4-14(17)23-13)21-15-19-7-20-22(12)15/h1-7,12H,(H,19,20,21)
PubChem CID3245263
ChEMBLCHEMBL1372076
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6194Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
6193Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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