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

NameN-[(diallylamino)carbonothioyl]-4-methoxybenzamide
Molecular formulaC15H18N2O2S
IUPAC nameN-[bis(prop-2-enyl)carbamothioyl]-4-methoxybenzamide
Molecular weight290.381
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.8
SynonymsCHEMBL1428739
AKOS000497561
MCULE-2548833911
SR-01000285361
BB0285068
[ Show all ]
Inchi KeyACLIHVLZFWCPMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H18N2O2S/c1-4-10-17(11-5-2)15(20)16-14(18)12-6-8-13(19-3)9-7-12/h4-9H,1-2,10-11H2,3H3,(H,16,18,20)
PubChem CID1791946
ChEMBLCHEMBL1428739
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1675Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
1674Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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