Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER C-I-TASSER QUARK C-QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH Threapp BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

NameCHEMBL3104207
Molecular formulaC34H41FN4O2
IUPAC nameN-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-1-phenylcyclopentane-1-carboxamide
Molecular weight556.726
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50445674
SCHEMBL7602147
Inchi KeyCAVHOWBMUHUXQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H41FN4O2/c1-3-37(4-2)32(40)31(26-13-7-5-8-14-26)39-23-21-38(22-24-39)30-18-17-28(25-29(30)35)36-33(41)34(19-11-12-20-34)27-15-9-6-10-16-27/h5-10,13-18,25,31H,3-4,11-12,19-24H2,1-2H3,(H,36,41)
PubChem CID16665228
ChEMBLCHEMBL3104207
IUPHARN/A
BindingDB50445674
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37552Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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