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

NameCHEMBL3931112
Molecular formulaC27H27F6N3O2
IUPAC nameN-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-oxopyrrolidine-3-carboxamide
Molecular weight539.522
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.4
SynonymsSCHEMBL12728442
Inchi KeyLAPLFPPCLKKCFU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27F6N3O2/c1-16-5-4-6-17(2)23(16)36-15-25(14-22(36)37,18-7-9-35(3)10-8-18)24(38)34-21-12-19(26(28,29)30)11-20(13-21)27(31,32)33/h4-7,11-13H,8-10,14-15H2,1-3H3,(H,34,38)
PubChem CID51033453
ChEMBLCHEMBL3931112
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
540654Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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