Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL3894891
Molecular formulaC29H33F6N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-[[cyclobutylmethyl(methyl)amino]methyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight569.592
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.0
SynonymsSCHEMBL15251142
Inchi KeyAFHOBGBVUWVPTC-XHCCPWGMSA-N
Inchi IDInChI=1S/C29H33F6N3O2/c1-17-7-5-8-18(2)24(17)38-16-27(19(3)25(38)39,15-37(4)14-20-9-6-10-20)26(40)36-23-12-21(28(30,31)32)11-22(13-23)29(33,34)35/h5,7-8,11-13,19-20H,6,9-10,14-16H2,1-4H3,(H,36,40)/t19-,27-/m1/s1
PubChem CID89799789
ChEMBLCHEMBL3894891
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
536036Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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