PMC:7461420 / 65531-66287 JSON TXT

Annnotations TAB JSON ListView MergeView

Id	Subject	Object	Predicate	Lexical cue	mondo_id
T310	116-120	Disease	denotes	SARS	http://purl.obolibrary.org/obo/MONDO_0005091
T311	236-240	Disease	denotes	SARS	http://purl.obolibrary.org/obo/MONDO_0005091
T312	365-369	Disease	denotes	SARS	http://purl.obolibrary.org/obo/MONDO_0005091

Id	Subject	Object	Predicate	Lexical cue
T813	317-323	http://purl.obolibrary.org/obo/CLO_0001658	denotes	active

Id	Subject	Object	Predicate	Lexical cue	chebi_id
T5212	66-80	Chemical	denotes	etacrynic acid	http://purl.obolibrary.org/obo/CHEBI_4876
T80310	76-80	Chemical	denotes	acid	http://purl.obolibrary.org/obo/CHEBI_37527
T60378	89-94	Chemical	denotes	amide	http://purl.obolibrary.org/obo/CHEBI_29337\|http://purl.obolibrary.org/obo/CHEBI_32988
T24346	103-108	Chemical	denotes	ester	http://purl.obolibrary.org/obo/CHEBI_35701
T26076	127-142	Chemical	denotes	Mpro inhibitors	http://purl.obolibrary.org/obo/CHEBI_147285
T62302	132-142	Chemical	denotes	inhibitors	http://purl.obolibrary.org/obo/CHEBI_35222
T97944	181-192	Chemical	denotes	carboxamide	http://purl.obolibrary.org/obo/CHEBI_23004\|http://purl.obolibrary.org/obo/CHEBI_37622
T99256	283-297	Chemical	denotes	etacrynic acid	http://purl.obolibrary.org/obo/CHEBI_4876
T77207	293-297	Chemical	denotes	acid	http://purl.obolibrary.org/obo/CHEBI_37527
T49733	298-303	Chemical	denotes	ester	http://purl.obolibrary.org/obo/CHEBI_35701
T50928	435-441	Chemical	denotes	chloro	http://purl.obolibrary.org/obo/CHEBI_47853
T49983	549-557	Chemical	denotes	hydrogen	http://purl.obolibrary.org/obo/CHEBI_49637
T25028	622-627	Chemical	denotes	amino	http://purl.obolibrary.org/obo/CHEBI_46882
T9229	628-633	Chemical	denotes	group	http://purl.obolibrary.org/obo/CHEBI_24433
T64536	654-668	Chemical	denotes	carbonyl group	http://purl.obolibrary.org/obo/CHEBI_23019
T83383	663-668	Chemical	denotes	group	http://purl.obolibrary.org/obo/CHEBI_24433
T57959	749-755	Chemical	denotes	sulfur	http://purl.obolibrary.org/obo/CHEBI_26833

Id	Subject	Object	Predicate	Lexical cue	tao:has_database_id
2028	127-131	Gene	denotes	Mpro	Gene:8673700
2029	521-525	Gene	denotes	Mpro	Gene:8673700
2030	376-380	Gene	denotes	Mpro	Gene:8673700
2031	247-251	Gene	denotes	Mpro	Gene:8673700
2032	116-124	Species	denotes	SARS‐CoV	Tax:694009
2033	236-244	Species	denotes	SARS‐CoV	Tax:694009
2034	365-373	Species	denotes	SARS‐CoV	Tax:694009
2035	408-411	Species	denotes	SAR	Tax:2698737
2036	66-80	Chemical	denotes	etacrynic acid	MESH:D004976
2037	89-94	Chemical	denotes	amide	MESH:D000577
2038	103-108	Chemical	denotes	ester	MESH:D004952
2039	171-192	Chemical	denotes	Etacrynic carboxamide
2040	283-303	Chemical	denotes	etacrynic acid ester
2041	435-441	Chemical	denotes	chloro
2042	549-557	Chemical	denotes	hydrogen	MESH:D006859
2043	569-575	Chemical	denotes	Gln189
2044	577-583	Chemical	denotes	Glu166
2045	585-591	Chemical	denotes	Thr190
2046	597-603	Chemical	denotes	Gln192
2047	684-690	Chemical	denotes	Gly143
2048	742-748	Chemical	denotes	Cys145
2049	749-755	Chemical	denotes	sulfur	MESH:D013455

Id	Subject	Object	Predicate	Lexical cue
T570	166-407	Sentence	denotes	175 Etacrynic carboxamide (105; K i, 35.3 µM) bound more strongly to SARS‐CoV‐1 Mpro than to papain protease, while etacrynic acid ester 104 was more active at papain protease (K i, 3.2 µM) than at SARS‐CoV‐1 Mpro (K i, 45.8 µM; Figure 28).
T571	408-494	Sentence	denotes	SAR studies suggested that chloro substituents were necessary for protease inhibition.
T572	495-634	Sentence	denotes	Docking studies of 105 to Mpro revealed that it forms hydrogen bonds with Gln189, Glu166, Thr190, and Gln192 with its terminal amino group.
T573	635-756	Sentence	denotes	The Michael system carbonyl group interacts with Gly143, and the reactive double bond remained next to the Cys145 sulfur.