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

NameCHEMBL3355961
Molecular formulaC32H35F2N3O2S
IUPAC nameethyl 6-[2-ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]indol-1-yl]pyridine-2-carboxylate
Molecular weight563.708
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP7.7
SynonymsBDBM50041199
SCHEMBL1098360
Inchi KeyMFNWFHKBFKEKAN-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H35F2N3O2S/c1-3-28-31(22-15-18-36(19-16-22)17-6-20-40-25-12-9-23(33)10-13-25)26-14-11-24(34)21-29(26)37(28)30-8-5-7-27(35-30)32(38)39-4-2/h5,7-14,21-22H,3-4,6,15-20H2,1-2H3
PubChem CID25024850
ChEMBLCHEMBL3355961
IUPHARN/A
BindingDB50041199
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
449724C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
449725C-C chemokine receptor type 3O54814Ccr3Rattus norvegicus (Rat)359
449723Probable C-C chemokine receptor type 3P51678Ccr3Mus musculus (Mouse)359

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