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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameSCHEMBL1603509
Molecular formulaC26H26F6N2O2
IUPAC nameN-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Molecular weight512.496
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.3
Synonyms3-cyclopentyl-1-(2,6-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide
CHEMBL3973803
AMXIUTIAGYTSCN-UHFFFAOYSA-N
Inchi KeyAMXIUTIAGYTSCN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26F6N2O2/c1-15-6-5-7-16(2)22(15)34-14-24(13-21(34)35,17-8-3-4-9-17)23(36)33-20-11-18(25(27,28)29)10-19(12-20)26(30,31)32/h5-7,10-12,17H,3-4,8-9,13-14H2,1-2H3,(H,33,36)
PubChem CID51033903
ChEMBLCHEMBL3973803
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
536232Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417