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

NameSCHEMBL9999169
Molecular formulaC20H24F3N5O
IUPAC nameN-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight407.441
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.8
SynonymsUS9062048, 101
BDBM163472
N-(1-cyclohexylazetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide
YFUBWFFAQAZXSK-UHFFFAOYSA-N
CHEMBL3704112
Inchi KeyYFUBWFFAQAZXSK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24F3N5O/c21-20(22,23)13-6-7-17-16(8-13)19(26-12-25-17)24-9-18(29)27-14-10-28(11-14)15-4-2-1-3-5-15/h6-8,12,14-15H,1-5,9-11H2,(H,27,29)(H,24,25,26)
PubChem CID68004045
ChEMBLCHEMBL3704112
IUPHARN/A
BindingDB163472
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
462700C-C chemokine receptor-like 2O00421CCRL2Homo sapiens (Human)344

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