Details of the Drug Combination

General Information of Drug Combination (ID: DCRGWCF)

Drug Combination Name
Pepstatin ML323
Indication
Disease Entry Status REF
Chronic myelogenous leukemia Investigative [1]
Component Drugs Pepstatin   DM9S1EA ML323   DMY91A3
Small molecular drug Small molecular drug
2D MOL 2D MOL
3D MOL is unavailable 3D MOL is unavailable
High-throughput Screening Result Testing Cell Line: KBM-7
Zero Interaction Potency (ZIP) Score: 20.21
Bliss Independence Score: 20.21
Loewe Additivity Score: 29.79
LHighest Single Agent (HSA) Score: 29.79

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
Indication(s) of Pepstatin
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Terminated [2]
Pepstatin Interacts with 4 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Plasmodium Cysteine protease falcipain-2 (Malaria CPF2) TT7EASG Q9N6S8_PLAFA Inhibitor [4]
Plasmodium Plasmepsin 2 (Malaria PLA2) TTXMNHO PLM2_PLAFA Inhibitor [5]
Plasmodium Plasmepsin 1 (Malaria PLA1) TTH9VL3 PLM1_PLAFA Inhibitor [5]
Plasmodium Cysteine protease falcipain (Malaria CPF) TTJNPTK NOUNIPROTAC Inhibitor [5]
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Pepstatin Interacts with 1 DOT Molecule(s)
DOT Name DOT ID UniProt ID Mode of Action REF
Cathepsin D (CTSD) OTQZ36F3 CATD_HUMAN Decreases Activity [6]
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Indication(s) of ML323
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Preclinical [3]
ML323 Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Deubiquitinating enzyme 1 (USP1) TTG9MT5 UBP1_HUMAN Inhibitor [7]
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References

1 Recurrent recessive mutation in deoxyguanosine kinase causes idiopathic noncirrhotic portal hypertension.Hepatology. 2016 Jun;63(6):1977-86. doi: 10.1002/hep.28499. Epub 2016 Mar 31.
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004280)
3 Deubiquitylating enzymes and drug discovery: emerging opportunities. Nat Rev Drug Discov. 2018 Jan;17(1):57-78.
4 Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.
5 Novel molecular targets for antimalarial chemotherapy. Int J Antimicrob Agents. 2007 Jul;30(1):4-10.
6 Evidence of a lysosomal pathway for apoptosis induced by the synthetic retinoid CD437 in human leukemia HL-60 cells. Cell Death Differ. 2001 May;8(5):477-85. doi: 10.1038/sj.cdd.4400843.
7 Synthesis and structure-activity relationship studies of N-benzyl-2-phenylpyrimidin-4-amine derivatives as potent USP1/UAF1 deubiquitinase inhibitors with anticancer activity against nonsmall cell lung cancer. J Med Chem. 2014 Oct 9;57(19):8099-110.