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

NameMLS000072668
Molecular formulaC26H35ClN6O3
IUPAC name1-[(1-cyclopentyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
Molecular weight515.055
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogPNone
Synonyms1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-(4-methoxy-phenyl)-piperazine
SMR000004862
MLS000882397
1-[(1-cyclopentyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine hydrochloride
CHEMBL1531251
[ Show all ]
Inchi KeyAMGUPFVNSUOYTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N6O3.ClH/c1-33-21-13-11-19(12-14-21)30-15-17-31(18-16-30)24(22-9-6-10-23(34-2)25(22)35-3)26-27-28-29-32(26)20-7-4-5-8-20;/h6,9-14,20,24H,4-5,7-8,15-18H2,1-3H3;1H
PubChem CID6603437
ChEMBLCHEMBL1531251
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8865Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
8867Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
8868Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
8866Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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