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

NameCHEMBL2315925
Molecular formulaC24H27F3N6O2S
IUPAC nameN-[1-[4-hydroxy-4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight520.575
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP3.4
SynonymsSCHEMBL9999076
BDBM50425702
CHEMBL3704095
AFSXROFWADTOSY-UHFFFAOYSA-N
US9062048, 79
[ Show all ]
Inchi KeyAFSXROFWADTOSY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27F3N6O2S/c1-14-28-9-20(36-14)23(35)6-4-17(5-7-23)33-11-16(12-33)32-21(34)10-29-22-18-8-15(24(25,26)27)2-3-19(18)30-13-31-22/h2-3,8-9,13,16-17,35H,4-7,10-12H2,1H3,(H,32,34)(H,29,30,31)
PubChem CID68004012
ChEMBLCHEMBL3704095
IUPHARN/A
BindingDB163451
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459261C-C chemokine receptor-like 2O00421CCRL2Homo sapiens (Human)344

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