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TargetCyclooxygenase
LigandBDBM17638
Substrate/Competitorn/a
Meas. Tech.ChEMBL_51504
IC50 500±n/a nM
Citation Kramer, JBBoschelli, DHConnor, DTKostlan, CRFlynn, DLDyer, RDBornemeier, DAKennedy, JAWright, CDKuipers, PJ Synthesis of reversed hydroxamic acids of indomethacin: dual inhibitors of cyclooxygenase and 5-lipoxygenase Bioorg Med Chem Lett2:1655-1660 (1992)    Article
More Info.:Get all data from this article,  Assay Method
 
Cyclooxygenase
Name:Cyclooxygenase
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 51498
Components:This complex has 2 components.
Component 1
Name:Cyclooxygenase
Synonyms:Cyclooxygenase-1 | Prostaglandin G/H synthase (cyclooxygenase)
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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Component 2
Name:Cyclooxygenase
Synonyms:n/a
Type:Enzyme Catalytic Domain
Mol. Mass.:69173.51
Organism:RAT
Description:COX-2 0 RAT::P35355
Residue:604
Sequence:
MLFRAVLLCAALALSHAANPCCSNPCQNRGECMSIGFDQYKCDCTRTGFYGENCTTPEFL
TRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRNSIMRYVLTSRSHLIDSPPTYNVHY
GYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGT
NMMFAFFAQHFTHQFFKTDQKRGPGFTRGLGHGVDLNHVYGETLDRQHKLRLFQDGKLKY
QVIGGEVYPPTVKDTQVDMIYPPHVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
ILKQEHPEWDDERLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQ
NRIASEFNTLYHWHPLLPDTFNIEDQEYTFKQFLYNNSILLEHGLAHFVESFTRQIAGRV
AGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKAL
YHDIDAMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEV
GFRIINTASIQSLICNNVKGCPFASFNVQDPQPTKTATINASASHSRLDDINPTVLIKRR
STEL
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BDBM17638
NameBDBM17638
Synonyms:2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid | CHEMBL6 | Indocin | Indomethacin | US9271961, Indomethacin | indometacin
TypeSmall organic molecule
Emp. Form.C19H16ClNO4
Mol. Mass.357.788
SMILESCOc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Structure
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n/a