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

Nametropicamide
Molecular formulaC17H20N2O2
IUPAC nameN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide
Molecular weight284.359
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.5
SynonymsQ-201902
SMP1_000304
Spectrum4_000377
ST51015162
Tox21_110297_1
[ Show all ]
Inchi KeyBGDKAVGWHJFAGW-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
PubChem CID5593
ChEMBLCHEMBL1200604
IUPHARN/A
BindingDB82371
DrugBankDB00809

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22870Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
22876Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
22867Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
22871Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
22868Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
22874Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
22869Muscarinic acetylcholine receptor M4P17200CHRM4Gallus gallus (Chicken)490
22873Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
22875Muscarinic acetylcholine receptor M4P41986CHRM4Bos taurus (Bovine)126
459412Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478
22872Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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