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

NameAC1MFQZ4
Molecular formulaC29H34N2O6
IUPAC name1-benzhydryl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
Molecular weight506.599
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogPNone
SynonymsMCULE-8394496812
1-benzhydryl-4-[2-(2-phenoxyethoxy)ethyl]piperazine; oxalic acid
SMR000271374
CHEMBL1519133
MLS000666787
[ Show all ]
Inchi KeyABSLQDXAASBDEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N2O2.C2H2O4/c1-4-10-24(11-5-1)27(25-12-6-2-7-13-25)29-18-16-28(17-19-29)20-21-30-22-23-31-26-14-8-3-9-15-26;3-1(4)2(5)6/h1-15,27H,16-23H2;(H,3,4)(H,5,6)
PubChem CID2924013
ChEMBLCHEMBL1519133
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1138Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463092Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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