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

NameCHEMBL3915356
Molecular formulaC29H20Cl2F3N3O
IUPAC name6-[bis(4-chlorophenyl)methyl]-4-[[5-(trifluoromethyl)pyridin-3-yl]methylamino]-1H-quinolin-2-one
Molecular weight554.394
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.0
SynonymsSCHEMBL17032576
Inchi KeyABBJWXXPWGRDKF-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H20Cl2F3N3O/c30-22-6-1-18(2-7-22)28(19-3-8-23(31)9-4-19)20-5-10-25-24(12-20)26(13-27(38)37-25)36-15-17-11-21(16-35-14-17)29(32,33)34/h1-14,16,28H,15H2,(H2,36,37,38)
PubChem CID118329981
ChEMBLCHEMBL3915356
IUPHARN/A
BindingDB208401
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
519704Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
519703Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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