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

NameCHEMBL3927243
Molecular formulaC24H27Cl2N3O2S
IUPAC name2-[2-(2,6-dichloroanilino)phenyl]-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]acetamide
Molecular weight492.459
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50199159
Inchi KeyJEGJNMBJZAPUIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27Cl2N3O2S/c1-29(2)15-18-10-11-19(31-18)16-32-13-12-27-23(30)14-17-6-3-4-9-22(17)28-24-20(25)7-5-8-21(24)26/h3-11,28H,12-16H2,1-2H3,(H,27,30)
PubChem CID134140720
ChEMBLCHEMBL3927243
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
549777Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
549776Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
549774Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
549775Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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