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

NameCHEMBL3955807
Molecular formulaC27H31F6N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(diethylaminomethyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight543.554
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.5
SynonymsSCHEMBL15251177
Inchi KeyHYGLNARXXHIBOP-IQGLISFBSA-N
Inchi IDInChI=1S/C27H31F6N3O2/c1-6-35(7-2)14-25(15-36(23(37)18(25)5)22-16(3)9-8-10-17(22)4)24(38)34-21-12-19(26(28,29)30)11-20(13-21)27(31,32)33/h8-13,18H,6-7,14-15H2,1-5H3,(H,34,38)/t18-,25-/m1/s1
PubChem CID89799816
ChEMBLCHEMBL3955807
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
539173Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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