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

NameL-Hyoscyamine
Molecular formulaC17H23NO3
IUPAC name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
Molecular weight289.375
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.8
SynonymsNCGC00093951-03
alpha-[hydroxymethyl]benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
NINDS_000558
Benzeneacetic acid, .alpha.-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
RKUNBYITZUJHSG-UHFFFAOYSA-N
[ Show all ]
Inchi KeyRKUNBYITZUJHSG-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
PubChem CID3661
ChEMBLCHEMBL9751
IUPHARN/A
BindingDB86231
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 16
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2986035-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
556645Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
298604D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
298600Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
298602Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
298593Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
298597Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
298595Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
298599Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
556644Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466
298594Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
298596Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
298601Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
298605Muscarinic acetylcholine receptor M4P17200CHRM4Gallus gallus (Chicken)490
461775Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478
298598Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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