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

NameCHEMBL45156
Molecular formulaC15H21BrFNO
IUPAC name4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine
Molecular weight330.241
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50058023
4-(4-Bromo-phenoxymethyl)-1-(3-fluoro-propyl)-piperidine
Inchi KeyAHAGIIZNUZGGLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H21BrFNO/c16-14-2-4-15(5-3-14)19-12-13-6-10-18(11-7-13)9-1-8-17/h2-5,13H,1,6-12H2
PubChem CID10568394
ChEMBLCHEMBL45156
IUPHARN/A
BindingDB50058023
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5383D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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