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

NameCHEMBL2315935
Molecular formulaC26H28F3N5O2
IUPAC nameN-[1-[4-(2-hydroxyphenyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight499.538
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP4.6
SynonymsN-(1-(4-(2-hydroxyphenyl)cyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide
BDBM163442
ZSIJRKFDESNGJM-UHFFFAOYSA-N
SCHEMBL9999051
BDBM50425716
[ Show all ]
Inchi KeyZSIJRKFDESNGJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28F3N5O2/c27-26(28,29)17-7-10-22-21(11-17)25(32-15-31-22)30-12-24(36)33-18-13-34(14-18)19-8-5-16(6-9-19)20-3-1-2-4-23(20)35/h1-4,7,10-11,15-16,18-19,35H,5-6,8-9,12-14H2,(H,33,36)(H,30,31,32)
PubChem CID54772205
ChEMBLCHEMBL3704086
IUPHARN/A
BindingDB163442
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
462930C-C chemokine receptor-like 2O00421CCRL2Homo sapiens (Human)344

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