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

NameCHEMBL6920
Molecular formulaC13H21NO2
IUPAC name1-(2-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight223.316
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50421729
SCHEMBL11854665
1-(isopropylamino)-3-(2-methylphenoxy)-2-propanol
AKOS008962503
1-(Isopropylamino)-3-(o-tolyloxy)-2-propanol
Inchi KeyPCVCNAZGPOOIQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-7-5-4-6-11(13)3/h4-7,10,12,14-15H,8-9H2,1-3H3
PubChem CID10332812
ChEMBLCHEMBL6920
IUPHARN/A
BindingDB50421729
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
256650Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418

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