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 DMFold 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

NameCHEMBL3596470
Molecular formulaC26H25F3N2O3
IUPAC name4-[[3-(3-nitrophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
Molecular weight470.492
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.7
SynonymsSCHEMBL13404079
BDBM50106382
Inchi KeyKFOZHMKOWWOQLK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25F3N2O3/c27-26(28,29)23-14-19(13-21(15-23)20-5-4-8-24(16-20)31(32)33)17-34-18-25(9-11-30-12-10-25)22-6-2-1-3-7-22/h1-8,13-16,30H,9-12,17-18H2
PubChem CID24782655
ChEMBLCHEMBL3596470
IUPHARN/A
BindingDB50106382
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
483697Substance-P receptorQ5DUB1TACR1Meriones unguiculatus (Mongolian jird)407
562566Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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