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

NameCID 118733773
Molecular formulaC15H19ClF3NO3
IUPAC name[(1S,2S)-2-(5-chloro-2-propan-2-yloxyphenyl)cyclopropyl]methanamine;2,2,2-trifluoroacetic acid
Molecular weight353.766
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyAJBKKZIFZNPAEH-XQKZEKTMSA-N
Inchi IDInChI=1S/C13H18ClNO.C2HF3O2/c1-8(2)16-13-4-3-10(14)6-12(13)11-5-9(11)7-15;3-2(4,5)1(6)7/h3-4,6,8-9,11H,5,7,15H2,1-2H3;(H,6,7)/t9-,11+;/m1./s1
PubChem CID118733773
ChEMBLCHEMBL3416039
IUPHARN/A
BindingDB50076195
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4419675-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4419685-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
4419665-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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