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

NameSCHEMBL9999131
Molecular formulaC23H30F3N5O2
IUPAC nameN-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight465.521
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.7
SynonymsUS9062048, 105
CHEMBL3704115
UNLLFAKDOQXAJW-UHFFFAOYSA-N
BDBM163480
N-(1-(4-(ethoxymethyl)cyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide
Inchi KeyUNLLFAKDOQXAJW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30F3N5O2/c1-2-33-13-15-3-6-18(7-4-15)31-11-17(12-31)30-21(32)10-27-22-19-9-16(23(24,25)26)5-8-20(19)28-14-29-22/h5,8-9,14-15,17-18H,2-4,6-7,10-13H2,1H3,(H,30,32)(H,27,28,29)
PubChem CID68004028
ChEMBLCHEMBL3704115
IUPHARN/A
BindingDB163480
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
462169C-C chemokine receptor-like 2O00421CCRL2Homo sapiens (Human)344

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