Synonyms: inhibitor N3 | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Compound class:
Synthetic organic
Comment: PRD_002214 is an irreversible peptide-like inhibitor of the main protease (MPRO) of SARS-CoV-2 [1]. The chemical structure was obtained from the RCSB Protein Data Bank entry 6LU7 which shows the ligand in complex with the protease. The article describing the work has not yet been published (March 12, 2020), but the inhibitor (also referred to as N3) has been deployed in other MPRO crystallisation studies [2]. The MPRO sequence is held in the NCBI record 'Chain A, SARS-CoV-2 main protease'.
![]() Ligand Activity Visualisation ChartsThese are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts. ✖ |
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Classification ![]() |
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Compound class | Synthetic organic |
IUPAC Name ![]() |
benzyl (2Z,4S)-4-[(2S)-4-methyl-2-[(2S)-3-methyl-2-[(2S)-2-[(5-methyl-1,2-oxazol-3-yl)formamido]propanamido]butanamido]pentanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
Synonyms ![]() |
inhibitor N3 | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE |
Database Links ![]() |
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GtoPdb PubChem SID | 405067310 |
PubChem CID | 146025593 |
Search Google for chemical match using the InChIKey | IDBWWEGDLCFCTD-NQJFWITJSA-N |
Search Google for chemicals with the same backbone | IDBWWEGDLCFCTD |
UniChem Compound Search for chemical match using the InChIKey | IDBWWEGDLCFCTD-NQJFWITJSA-N |
UniChem Connectivity Search for chemical match using the InChIKey | IDBWWEGDLCFCTD-NQJFWITJSA-N |