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

NamePROPYLBENZILYLCHOLINE MUSTARD
Molecular formulaC21H26ClNO3
IUPAC name2-[2-chloroethyl(propyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
Molecular weight375.893
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
SynonymsPrBCh
Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-((2-chloroethyl)propylamino)ethyl ester
UNII-0056KS5787
2-[2-chloroethyl(propyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
DTXSID90189732
[ Show all ]
Inchi KeyADUIJCCNUGTGDH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26ClNO3/c1-2-14-23(15-13-22)16-17-26-20(24)21(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,25H,2,13-17H2,1H3
PubChem CID37396
ChEMBLN/A
IUPHARN/A
BindingDB82380
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3095Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
3092Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
3093Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
3094Muscarinic acetylcholine receptor M4P17200CHRM4Gallus gallus (Chicken)490

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