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

NameCHEMBL1946783
Molecular formulaC31H34N2O6
IUPAC name5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,2-diphenylcyclopentan-1-one;oxalic acid
Molecular weight530.621
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyAPRDDCAAWFCTQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N2O2.C2H2O4/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25;3-1(4)2(5)6/h2-15,23H,16-22H2,1H3;(H,3,4)(H,5,6)
PubChem CID56946578
ChEMBLCHEMBL1946783
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
112745-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
11275Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
442146Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
11273Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
11278Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
11276Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
11277Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417