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

NameAC1M4K3J
Molecular formulaC23H28N2O3S
IUPAC nameN,N-diethyl-3-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide
Molecular weight412.548
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsMLS000374345
CHEMBL1325077
N,N-diethyl-3-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide
HMS2589L10
SMR000242262
Inchi KeyKCIHGOYYVGCCKT-CJLVFECKSA-N
Inchi IDInChI=1S/C23H28N2O3S/c1-6-25(7-2)29(27,28)18-12-10-11-17(15-18)21(26)16-22-23(3,4)19-13-8-9-14-20(19)24(22)5/h8-16H,6-7H2,1-5H3/b22-16+
PubChem CID2309360
ChEMBLCHEMBL1325077
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
165772Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
165773Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699
483380Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
165774Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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