> top > docs > PMC:7571312 > spans > 21171-22285 > annotations

PMC:7571312 / 21171-22285 JSONTXT

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LitCovid-PD-FMA-UBERON

Id Subject Object Predicate Lexical cue fma_id
T52556 95-103 Body_part denotes cysteine http://purl.org/sig/ont/fma/fma82751
T92468 660-668 Body_part denotes cysteine http://purl.org/sig/ont/fma/fma82751

LitCovid-PD-MONDO

Id Subject Object Predicate Lexical cue mondo_id
T63 504-508 Disease denotes SARS http://purl.obolibrary.org/obo/MONDO_0005091

LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T59256 265-266 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T19419 404-410 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T18919 606-607 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T36051 648-654 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T23602 913-915 http://purl.obolibrary.org/obo/CLO_0008922 denotes S2
T57314 913-915 http://purl.obolibrary.org/obo/CLO_0050052 denotes S2
T18914 926-927 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T63101 1015-1016 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T52927 1064-1066 http://purl.obolibrary.org/obo/CLO_0008307 denotes P2

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T338 13-23 Chemical denotes inhibitors http://purl.obolibrary.org/obo/CHEBI_35222
T339 48-54 Chemical denotes ethers http://purl.obolibrary.org/obo/CHEBI_25698
T340 95-123 Chemical denotes cysteine protease inhibitors http://purl.obolibrary.org/obo/CHEBI_64152
T341 95-103 Chemical denotes cysteine http://purl.obolibrary.org/obo/CHEBI_15356
T342 104-123 Chemical denotes protease inhibitors http://purl.obolibrary.org/obo/CHEBI_37670|http://purl.obolibrary.org/obo/CHEBI_60258
T344 113-123 Chemical denotes inhibitors http://purl.obolibrary.org/obo/CHEBI_35222
T345 203-213 Chemical denotes inhibitors http://purl.obolibrary.org/obo/CHEBI_35222
T346 274-282 Chemical denotes hydrogen http://purl.obolibrary.org/obo/CHEBI_49637
T347 324-332 Chemical denotes hydroxyl http://purl.obolibrary.org/obo/CHEBI_29191|http://purl.obolibrary.org/obo/CHEBI_43176
T349 347-356 Chemical denotes inhibitor http://purl.obolibrary.org/obo/CHEBI_35222
T350 416-419 Chemical denotes Cys http://purl.obolibrary.org/obo/CHEBI_15356|http://purl.obolibrary.org/obo/CHEBI_17561|http://purl.obolibrary.org/obo/CHEBI_29950
T353 428-434 Chemical denotes ketone http://purl.obolibrary.org/obo/CHEBI_17087
T354 634-640 Chemical denotes sulfur http://purl.obolibrary.org/obo/CHEBI_26833
T355 660-668 Chemical denotes cysteine http://purl.obolibrary.org/obo/CHEBI_15356
T356 690-698 Chemical denotes carbonyl http://purl.obolibrary.org/obo/CHEBI_23019
T357 710-718 Chemical denotes hydrogen http://purl.obolibrary.org/obo/CHEBI_49637
T358 778-785 Chemical denotes hydroxy http://purl.obolibrary.org/obo/CHEBI_43176
T359 913-915 Chemical denotes S2 http://purl.obolibrary.org/obo/CHEBI_29387
T360 1042-1052 Chemical denotes inhibitors http://purl.obolibrary.org/obo/CHEBI_35222
T361 1064-1066 Chemical denotes P2 http://purl.obolibrary.org/obo/CHEBI_33472

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T135 0-449 Sentence denotes Peptidyl HMK inhibitors and their corresponding ethers have been designed as potent reversible cysteine protease inhibitors of cathepsin K34 and cruzain.43 High-resolution crystal structures of two such inhibitors complexed with cruzain highlighted the presence of a strong hydrogen bond between the catalytic His and the α-hydroxyl moiety of the inhibitor but interestingly no covalent bond between the active-site Cys and the ketone pharmacophore.
T136 450-793 Sentence denotes Utilizing the crystal structure of 28 in complex with SARS CoV-1 3CLpro, molecular modeling of an HMK-based design indicated the potential for establishing a covalent bond between the sulfur of the active-site cysteine (Cys145) and the HMK carbonyl as well as hydrogen bond interactions between catalytic His41 and the terminal hydroxy moiety.
T137 794-966 Sentence denotes Additionally, the structure of 28 suggested the possibility to increase the lipophilic filling of the deep hydrophobic S2 pocket as a strategy to increase binding affinity.
T138 967-1114 Sentence denotes To evaluate these structure-based observations, a series of reversible HMK inhibitors containing P2 diversity were prepared as depicted in Table 3.

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
555 127-138 Gene denotes cathepsin K Gene:1513
556 95-112 Gene denotes cysteine protease Gene:1508
557 504-512 Species denotes SARS CoV Tax:694009
558 274-282 Chemical denotes hydrogen MESH:D006859
559 310-313 Chemical denotes His MESH:D006639
560 416-419 Chemical denotes Cys MESH:D003545
561 428-434 Chemical denotes ketone MESH:D007659
562 634-640 Chemical denotes sulfur MESH:D013455
563 660-668 Chemical denotes cysteine MESH:D003545
564 670-676 Chemical denotes Cys145
565 710-718 Chemical denotes hydrogen MESH:D006859
566 755-760 Chemical denotes His41
567 1064-1066 Chemical denotes P2 MESH:C020845