Home Research COVID-19 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 BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER 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

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

NameCHEMBL3971028
Molecular formulaC26H28F6N2O2
IUPAC name(3S,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-4-methyl-3-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
Molecular weight514.512
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.4
SynonymsSCHEMBL12706803
Inchi KeyCFNCFGIEVNAYGF-MZNJEOGPSA-N
Inchi IDInChI=1S/C26H28F6N2O2/c1-14(2)12-24(13-34(22(35)17(24)5)21-15(3)7-6-8-16(21)4)23(36)33-20-10-18(25(27,28)29)9-19(11-20)26(30,31)32/h6-11,14,17H,12-13H2,1-5H3,(H,33,36)/t17-,24-/m1/s1
PubChem CID51034786
ChEMBLCHEMBL3971028
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537037Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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