Reaction Details |
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Target | Prostaglandin G/H synthase 1 |
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Ligand | BDBM50260474 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1693912 |
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IC50 | 89000±n/a nM |
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Citation | Zhou, S; Yang, S; Huang, G Design, synthesis and bioactivities of Celecoxib analogues or derivatives. Bioorg Med Chem25:4887-4893 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Prostaglandin G/H synthase 1 |
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Name: | Prostaglandin G/H synthase 1 |
Synonyms: | Cox-1 | Cox1 | Cyclooxygenase | Cyclooxygenase-1 | PGH1_RAT | Prostaglandin G/H synthase (cyclooxygenase) | Ptgs1 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 69033.56 |
Organism: | RAT |
Description: | COX-1 0 RAT::Q63921 |
Residue: | 602 |
Sequence: | MSRRSLSLQFPLLLLLLLLPPPPVLLTDAGVPSPVNPCCYYPCQNQGVCVRFGLDHYQCD
CTRTGYSGPNCTIPEIWTWLRSSLRPSPSFTHFLLTHGYWIWEFVNATFIREVLMRLVIT
VRSNLIPSPPTYNTAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDIHLLA
QRLLLRREFIPGPQGTNVLFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDSL
ERQYHLRLFKDGKLKYQVLDGEVYPPSVEQASVLMRYPPGVPPEKQMAVGQEVFGLLPGL
MLFSTIWLREHNRVCDLLKEEHPTWDDEQLFQTTRLILIGETIKIIIEEYVQHLSGYFLQ
LKFDPELLFRAQFQYRNRIALEFNHLYHWHPLMPDSFQVGSQEYSYEQFLFNTSMLVDYG
VEALVDAFSRQRAGRIGGGRNFDYHVLHVAEDVIKESREMRLQSFNEYRKRFGLKPYTSF
QEFTGEKEMAAELEELYGDIDALEFYPGLMLEKCQPNSLFGESMIEMGAPFSLKGLLGNP
ICSPEYWKPSTFGGDVGFNIVNTASLKKLVCLNTKTCPYVSFRVPDYPGDDGSVFVRPST
EL
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BDBM50260474 |
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n/a |
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Name | BDBM50260474 |
Synonyms: | CHEMBL4071978 |
Type | Small organic molecule |
Emp. Form. | C15H15Cl3N4O2S2 |
Mol. Mass. | 453.794 |
SMILES | CN1C=CN(C=C1)C1SC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| |
Structure |
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