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 ●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

NameCHEMBL1777868
Molecular formulaC17H13N3O3
IUPAC name3-[4-(3-cyanopyrazin-2-yl)oxyphenyl]hex-4-ynoic acid
Molecular weight307.309
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.0
SynonymsBDBM50344075
rac-3-(4-(3-cyanopyrazin-2-yloxy)phenyl)hex-4-ynoic acid
Inchi KeyQPIICQXBXFBNLV-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H13N3O3/c1-2-3-13(10-16(21)22)12-4-6-14(7-5-12)23-17-15(11-18)19-8-9-20-17/h4-9,13H,10H2,1H3,(H,21,22)
PubChem CID54583581
ChEMBLCHEMBL1777868
IUPHARN/A
BindingDB50344075
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
283735Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
283736Free fatty acid receptor 1Q76JU9Ffar1Mus musculus (Mouse)300

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417