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

NameCHEMBL3355933
Molecular formulaC24H29FN2S
IUPAC name2-ethyl-6-fluoro-3-[1-(3-phenylsulfanylpropyl)piperidin-4-yl]-1H-indole
Molecular weight396.568
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50041157
Inchi KeyJBXDGESFQNPBFT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29FN2S/c1-2-22-24(21-10-9-19(25)17-23(21)26-22)18-11-14-27(15-12-18)13-6-16-28-20-7-4-3-5-8-20/h3-5,7-10,17-18,26H,2,6,11-16H2,1H3
PubChem CID118721184
ChEMBLCHEMBL3355933
IUPHARN/A
BindingDB50041157
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
447512C-C chemokine receptor type 3O54814Ccr3Rattus norvegicus (Rat)359
447513C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
447511Probable C-C chemokine receptor type 3P51678Ccr3Mus musculus (Mouse)359

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