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 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

NameCHEMBL271704
Molecular formulaC22H26ClN3O
IUPAC name(1S,2S)-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
Molecular weight383.92
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50373836
Inchi KeyIKOHDVPRNAINBB-MOPGFXCFSA-N
Inchi IDInChI=1S/C22H26ClN3O/c1-2-25-10-12-26(13-11-25)21-9-8-17(14-20(21)23)24-22(27)19-15-18(19)16-6-4-3-5-7-16/h3-9,14,18-19H,2,10-13,15H2,1H3,(H,24,27)/t18-,19+/m1/s1
PubChem CID44455159
ChEMBLCHEMBL271704
IUPHARN/A
BindingDB50373836
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
135532Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
135534Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
135531Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
135535Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478
135533Muscarinic acetylcholine receptor M5P08911Chrm5Rattus norvegicus (Rat)531

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417