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PMC:7594251 / 98108-99628 JSONTXT

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LitCovid-PD-FMA-UBERON

Id Subject Object Predicate Lexical cue fma_id
T212 201-208 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T213 330-337 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T214 417-424 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257

LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T685 106-107 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T686 178-179 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T687 878-879 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T688 1000-1001 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T689 1131-1132 http://purl.obolibrary.org/obo/CLO_0001020 denotes a

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T23797 119-126 Chemical denotes solvent http://purl.obolibrary.org/obo/CHEBI_46787
T25837 201-208 Chemical denotes protein http://purl.obolibrary.org/obo/CHEBI_36080
T75648 284-290 Chemical denotes ligand http://purl.obolibrary.org/obo/CHEBI_52214
T96730 330-337 Chemical denotes protein http://purl.obolibrary.org/obo/CHEBI_36080
T53890 417-424 Chemical denotes protein http://purl.obolibrary.org/obo/CHEBI_36080
T32855 465-472 Chemical denotes ligands http://purl.obolibrary.org/obo/CHEBI_52214
T55729 514-521 Chemical denotes ligands http://purl.obolibrary.org/obo/CHEBI_52214
T47776 560-578 Chemical denotes triazolopyridazine http://purl.obolibrary.org/obo/CHEBI_48384
T84009 594-601 Chemical denotes ligands http://purl.obolibrary.org/obo/CHEBI_52214
T62193 712-718 Chemical denotes methyl http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309
T44312 719-724 Chemical denotes group http://purl.obolibrary.org/obo/CHEBI_24433
T25777 730-736 Chemical denotes ligand http://purl.obolibrary.org/obo/CHEBI_52214
T26250 749-755 Chemical denotes proton http://purl.obolibrary.org/obo/CHEBI_24636
T88957 761-767 Chemical denotes ligand http://purl.obolibrary.org/obo/CHEBI_52214
T85582 783-789 Chemical denotes proton http://purl.obolibrary.org/obo/CHEBI_24636
T46490 795-801 Chemical denotes ligand http://purl.obolibrary.org/obo/CHEBI_52214
T38398 819-824 Chemical denotes water http://purl.obolibrary.org/obo/CHEBI_15377
T94756 928-933 Chemical denotes water http://purl.obolibrary.org/obo/CHEBI_15377
T55063 934-943 Chemical denotes molecules http://purl.obolibrary.org/obo/CHEBI_25367
T3389 988-994 Chemical denotes proton http://purl.obolibrary.org/obo/CHEBI_24636
T5082 1012-1019 Chemical denotes ligands http://purl.obolibrary.org/obo/CHEBI_52214
T39367 1035-1053 Chemical denotes triazolopyridazine http://purl.obolibrary.org/obo/CHEBI_48384
T28009 1096-1101 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T17318 1171-1178 Chemical denotes ligands http://purl.obolibrary.org/obo/CHEBI_52214
T1462 1260-1267 Chemical denotes ligands http://purl.obolibrary.org/obo/CHEBI_52214
T73744 1332-1350 Chemical denotes triazolopyridazine http://purl.obolibrary.org/obo/CHEBI_48384
T45570 1359-1365 Chemical denotes ligand http://purl.obolibrary.org/obo/CHEBI_52214
T6158 1374-1386 Chemical denotes methyl group http://purl.obolibrary.org/obo/CHEBI_32875
T85158 1374-1380 Chemical denotes methyl http://purl.obolibrary.org/obo/CHEBI_29309
T13480 1381-1386 Chemical denotes group http://purl.obolibrary.org/obo/CHEBI_24433
T97666 1428-1433 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T70994 1434-1439 Chemical denotes group http://purl.obolibrary.org/obo/CHEBI_24433
T86094 1460-1468 Chemical denotes hydrogen http://purl.obolibrary.org/obo/CHEBI_49637

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
1058 428-432 Gene denotes Brd4 Gene:23476
1059 490-494 Gene denotes Brd4 Gene:23476
1060 647-651 Gene denotes Brd4 Gene:23476
1061 1505-1509 Gene denotes Brd4 Gene:23476
1062 1510-1513 Gene denotes BD1 Gene:1672
1063 495-498 Gene denotes BD1 Gene:1672
1064 433-436 Gene denotes BD1 Gene:1672
1065 560-578 Chemical denotes triazolopyridazine
1066 819-824 Chemical denotes water MESH:D014867
1067 928-933 Chemical denotes water MESH:D014867
1068 1035-1053 Chemical denotes triazolopyridazine
1069 1332-1350 Chemical denotes triazolopyridazine
1070 1460-1468 Chemical denotes hydrogen MESH:D006859
1071 1495-1501 Chemical denotes Asn140

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T642 0-6 Sentence denotes 3.6.6.
T643 7-22 Sentence denotes LOGSY Titration
T644 23-141 Sentence denotes Another variant of WaterLOGSY method called LOGSY utilizes the titration slopes as a measure of solvent accessibility.
T645 142-224 Sentence denotes The titration slopes are created by a constant increase of protein concentrations.
T646 225-369 Sentence denotes This method also provides more insight into the process of ligand solvation by checking the influence of protein concentration onto the process.
T647 370-531 Sentence denotes This approach was used on the bromodomain 1 of protein 4 (Brd4-BD1) by mapping epitopes of two ligands interacting with Brd4-BD1 and predicting ligands position.
T648 532-652 Sentence denotes The results showed that the triazolopyridazine moiety of both ligands was implanted into the binding pocket of the Brd4.
T649 653-829 Sentence denotes Additionally, the results from LOGSY titration showed that methyl-group 1 of ligand 1, aromatic proton 8 of ligand 2 and aromatic proton 8 of ligand 1 exhibit strong water NOE.
T650 830-1059 Sentence denotes This information enabled researchers to utilize a chemical replacement strategy (substitute bound water molecules by suitable functional groups) for aromatic proton 8 in a series of ligands containing the triazolopyridazine ring.
T651 1060-1198 Sentence denotes Those protons were replaced with an amino or aminomethyl groups and as a result, the binding affinity of those ligands increased 100-fold.
T652 1199-1520 Sentence denotes Finally, the results obtained from X-ray crystallography for ligands with such modifications allowed to find the binding mode of the triazolopyridazine ring of ligand 1 (with methyl group pointing internally) and the substituted amino group was found to create hydrogen bond to the side chain of Asn140 of Brd4-BD1 [402].