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

Name5-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-2-(2-thienyl)-4-(trifluoromethyl)pyrimidine
Molecular formulaC16H8ClF3N6S
IUPAC name5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine
Molecular weight408.787
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.1
SynonymsAKOS024383215
SMR000163474
2-{5-[1-(4-chlorophenyl)(1,2,3,4-tetraazol-5-yl)]-4-(trifluoromethyl)pyrimidin -2-yl}thiophene
HMS2353L22
AC1LKOFO
[ Show all ]
Inchi KeyAFPQJEYVQPKFNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H8ClF3N6S/c17-9-3-5-10(6-4-9)26-15(23-24-25-26)11-8-21-14(12-2-1-7-27-12)22-13(11)16(18,19)20/h1-8H
PubChem CID1046850
ChEMBLCHEMBL1550670
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
4380Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
4381Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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