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

NameCHEMBL71498
Molecular formulaC17H21NO
IUPAC name(1S)-2-[(3,5-dimethylphenyl)methoxy]-1-phenylethanamine
Molecular weight255.361
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.9
Synonyms(S)-2-(3,5-Dimethyl-benzyloxy)-1-phenyl-ethylamine
BDBM50283090
SCHEMBL8960677
Inchi KeyBCBZQRGPPQVWGF-QGZVFWFLSA-N
Inchi IDInChI=1S/C17H21NO/c1-13-8-14(2)10-15(9-13)11-19-12-17(18)16-6-4-3-5-7-16/h3-10,17H,11-12,18H2,1-2H3/t17-/m1/s1
PubChem CID44308930
ChEMBLCHEMBL71498
IUPHARN/A
BindingDB50283090
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442447Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
20032Substance-K receptorP21452TACR2Homo sapiens (Human)398
20033Substance-P receptorP25103TACR1Homo sapiens (Human)407

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