Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0098
Competitor Name
Propranolol
Synonyms
4199-09-1; (S)-propranolol; Propranolol, L-; (-)-propranolol; 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol; Levopropranolol; (-)-propanolol; s-(-)-propranolol; (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol; 74MLR03FLC; (S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol; CHEMBL452861; (S)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol; l-propranolol; (2S)-1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol; s-propranolol; 1-propranolol; 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)-; propranolol-(S); 2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(1-NAPHTHALENYLOXY)-, (S)-; propranolol (S-); EINECS 224-095-5; S-(-)-propanolol; Tocris-0834; (-)-(S)-Propranolol; Prestwick0_001081; Prestwick1_001081; Prestwick2_001081; Prestwick3_001075; Prestwick3_001081; (2S)-PROPRANOLOL; GTPL63; UNII-74MLR03FLC; SCHEMBL3956; PROPRANOLOL, (S)-; Lopac0_001023; BSPBio_001040; BSPBio_001090; BSPBio_001122; KBioGR_000380; KBioSS_000380; SPBio_003021; BPBio1_001200; BPBio1_001236; BCBcMAP01_000208; KBio2_000380; KBio2_002948; KBio2_005516; KBio3_000739; KBio3_000740; DTXSID90873366; Bio2_000360; Bio2_000840; HMS1362D21; HMS1792D21; HMS1990D21; HMS2089B07; BDBM50246936; PDSP1_000768; PDSP2_000756; AKOS040768709; CCG-205103; SDCCGSBI-0050996.P004; IDI1_002115; NCGC00024813-01; NCGC00024813-02; NCGC00024813-03; NCGC00024813-04; NCGC00024813-05; NCGC00024813-06; NCGC00024813-07; NCGC00024813-08; NCGC00024813-16; NCGC00024813-17; SBI-0050996.P003; AB00514695; NS00083437; AB00514695-07; AB00514695_08; A903061; BRD-K13994703-001-02-0; BRD-K13994703-003-04-2; BRD-K13994703-003-10-9; Q63390536; (2S)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol; S-(-)-1-ISOPROPYLAMINO-3-(1-NAPHTHOXY)-2-PROPANOL; (2S)-1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol; 1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol; [2-Hydroxy-3-(naphthalen-1-yloxy)-propyl]-isopropyl-ammonium((-)-propranolol); 2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(1-NAPHTHALENYLOXY)-, (2S)-
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 259.339
Lipid-water partition coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H21NO2
IUPAC Name
(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Canonical SMILES
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
InChIKey
AQHHHDLHHXJYJD-AWEZNQCLSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

ABPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
Propranolol-CA-4PAP
 Probe Info  		1 uM Human chronic myeloid leukemia cell lysate (K562) [1]

Target(s) List of this Competitor

3 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Delta(14)-sterol reductase LBR (LBR) LDTP06200 4.10  LDD0271 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 4.00  LDD0271 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 4.92  LDD0271 
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3 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Lysosome membrane protein 2 (SCARB2) LDTP06034 4.60  LDD0271 
Protein tweety homolog 3 (TTYH3) LDTP11615 15.00  LDD0271 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 4.20  LDD0271 
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Full Information of The Labelling Profiles of This Competitor

Propranolol-CA-4PAP
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 1 uM
Quantitative Method LFQ
Competitor Name Propranolol
Competitor Concentration 20 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model Chronic myeloid leukemia [ICD-11:2A20]
Model Name Human chronic myeloid leukemia cell lysate (K562)
Interaction Atlas ID  LDD0271  Download The Altas

References

1 Streamlined Target Deconvolution Approach Utilizing a Single Photoreactive Chloroalkane Capture Tag. ACS Chem Biol. 2021 Feb 19;16(2):404-413. doi: 10.1021/acschembio.0c00987. Epub 2021 Feb 5.