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

Name3-((2-fluorothiazol-4-yl)ethynyl)-5-fluorobenzonitrile
Molecular formulaC12H4F2N2S
IUPAC name3-fluoro-5-[2-(2-fluoro-1,3-thiazol-4-yl)ethynyl]benzonitrile
Molecular weight246.235
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.3
Synonyms1262778-42-6
BDBM50336843
SCHEMBL1648504
ZINC66078097
CHEMBL1672288
Inchi KeyLVXAMCKZCLWWTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
PubChem CID51050257
ChEMBLCHEMBL1672288
IUPHARN/A
BindingDB50336843
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 42
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
1977475-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1977595-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1977765-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1977575-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1977715-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1977665-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1977415-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1977585-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
1977505-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1977725-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
197765Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
197764Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
197763Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
197773Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
197748Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
197770Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
197762Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
197756Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
197777Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
197745D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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