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

NameCHEMBL492926
Molecular formulaC10H12FN
IUPAC name[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]methanamine
Molecular weight165.211
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.5
SynonymsBDBM50257391
trans-[2-(3-Fluorophenyl)cyclopropyl]methylamine Hydrochloride
CHEMBL1187187
ZINC40953743
Inchi KeyASHHTAGUESNAIP-PSASIEDQSA-N
Inchi IDInChI=1S/C10H12FN/c11-9-3-1-2-7(4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
PubChem CID44572798
ChEMBLN/A
IUPHARN/A
BindingDB50257391
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
131615-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
131605-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
131595-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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