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

NameCHEMBL358600
Molecular formulaC27H32Cl2FN3O2
IUPAC name5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
Molecular weight520.47
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsSCHEMBL7817850
BDBM50409628
Inchi KeyAALWUTFIDZBLOW-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32Cl2FN3O2/c28-24-6-3-21(15-25(24)29)27(9-10-31-17-23(18-31)32-11-13-35-14-12-32)8-7-26(34)33(19-27)16-20-1-4-22(30)5-2-20/h1-6,15,23H,7-14,16-19H2
PubChem CID11135103
ChEMBLCHEMBL358600
IUPHARN/A
BindingDB50409628
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
312Substance-P receptorP25103TACR1Homo sapiens (Human)407

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