Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3914663
Molecular formulaC23H24BrF3N2O2
IUPAC nameN-[3-bromo-5-(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide
Molecular weight497.356
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.3
SynonymsSCHEMBL12728554
Inchi KeyJMNUNNFITFYKAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24BrF3N2O2/c1-13(2)22(11-19(30)29(12-22)20-14(3)6-5-7-15(20)4)21(31)28-18-9-16(23(25,26)27)8-17(24)10-18/h5-10,13H,11-12H2,1-4H3,(H,28,31)
PubChem CID68365600
ChEMBLCHEMBL3914663
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
539947Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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