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

NameCHEMBL3355945
Molecular formulaC25H31FN2S
IUPAC name2-ethyl-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-6-methyl-1H-indole
Molecular weight410.595
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50041186
Inchi KeyTVSACSZJCZUBIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31FN2S/c1-3-23-25(22-10-5-18(2)17-24(22)27-23)19-11-14-28(15-12-19)13-4-16-29-21-8-6-20(26)7-9-21/h5-10,17,19,27H,3-4,11-16H2,1-2H3
PubChem CID118721195
ChEMBLCHEMBL3355945
IUPHARN/A
BindingDB50041186
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
454750C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
454751C-C chemokine receptor type 3O54814Ccr3Rattus norvegicus (Rat)359
454749Probable C-C chemokine receptor type 3P51678Ccr3Mus musculus (Mouse)359

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