Affinity Selection Mass Spectrometry

Our dedicated ASMS (Affinity Selection Mass Spectrometry) screening team offers clients this unique platform for the identification of small molecules capable of binding to the active sites of target proteins or promoting protein complex formation (such as molecular glues). These active small molecules will be the perfect starting point for your drug discovery programs. Our high quality service supports both newly emerging and challenging targets (such as RNA, membrane proteins, transcription factors) and is backed by access to small molecule libraries, automated operational systems, sensitive high resolution mass spectrometry devices, and efficient data processing software. 


ASMS workflow at WuXi AppTec

Hit identification in around 6 weeks


Capability and Advantages

Our experts’ experience in ASMS screening: served 28 clients, screened 24 targets (size from 12KDa – 400KDa), and screened over 3 million compounds.

ASMS, affinity selection mass spectrometry, HRMS, high resolution and sensitivity, biophysics

Unique Libraries and Target Proteins

ASMS Libraries

Library features:

  • Optimized diversity to maximize chemical space coverage
  • Commercial sources (Chembridge, ChemDiv, Life Chem, Maybridge and Uorsy)

Filtered by:

  • Rapid Elimination Of Swill (REOS)
  • Pan Assay Interference Compounds (PAINS)
  • WuXi AppTec structural filters, based on Med Chem experience

Drug-like property distribution:

  • MW 300 ~ 550
  • logP -5 ~ 5
  • Hydrogen bond donors 0 ~ 5
  • Hydrogen bond acceptors 0 ~ 10
  • Formal charge -2 ~ 2
  • Number of rotatable bonds 0 ~ 8
  • PSA 50 ~ 150
  • Number of heavy atoms 15 ~ 50

Chemical Space


Target Proteins

Protein

Aurora A

AKT1

LSD1

BRD3(BD1)

CA2

AKT2

AURKB

BRD3(BD2)

cMET

AKT3

FAK

FXR

Src

IRAK4

GSK3B

PTK1

Glycolate Oxidase

PDL1

JNK1

PTK2

BRD4

HSP90a

PLK1

LRRK2

HSP90b

SYK

IL2

STING

TRKC

DPP4

CHK1

CDK2

IDO1

CHK2

ASK1

TDO2

PI3K gamma

BRD2(BD1)

MAPKAPK2

p38 alpha

BRD2(BD2)