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 Principle
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.
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) |