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

NameCHEMBL423597
Molecular formulaC19H24N2O
IUPAC nameN-[(2-methoxyphenyl)methyl]-1-[methylamino(phenyl)methyl]cyclopropan-1-amine
Molecular weight296.414
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50097646
N-(2-Methoxybenzyl)-1-[alpha-(methylamino)benzyl]cyclopropane-1-amine
(2-Methoxy-benzyl)-[1-(methylamino-phenyl-methyl)-cyclopropyl]-amine
Inchi KeyAKWHRBSVVQXNOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N2O/c1-20-18(15-8-4-3-5-9-15)19(12-13-19)21-14-16-10-6-7-11-17(16)22-2/h3-11,18,20-21H,12-14H2,1-2H3
PubChem CID10085946
ChEMBLCHEMBL423597
IUPHARN/A
BindingDB50097646
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7957Substance-P receptorP25103TACR1Homo sapiens (Human)407

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