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

Nameethyl 2-amino-4-(3-(trifluoromethyl)phenyl)thiophene-3-carboxylate
Molecular formulaC14H12F3NO2S
IUPAC nameethyl 2-amino-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
Molecular weight315.31
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
Synonyms2-Amino-4-(3-trifluoromethyl-phenyl)-thiophene-3-carboxylic acid ethyl ester
ZINC19231948
KB-272495
ACN-045603
CHEMBL404690
[ Show all ]
Inchi KeyAFZMELADLMEJDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H12F3NO2S/c1-2-20-13(19)11-10(7-21-12(11)18)8-4-3-5-9(6-8)14(15,16)17/h3-7H,2,18H2,1H3
PubChem CID28104938
ChEMBLCHEMBL404690
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4653Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326

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