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TargetProstaglandin G/H synthase 1/2
LigandBDBM50076666
Substrate/Competitorn/a
Meas. Tech.ChEMBL_51502 (CHEMBL665837)
IC50 110±n/a nM
Citation Connolly, PJWetter, SKBeers, KNHamel, SCChen, RHWachter, MPAnsell, JSinger, MMSteber, MRitchie, DMArgentieri, DC N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Bioorg Med Chem Lett9:979-84 (1999) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin G/H synthase 1/2
Name:Prostaglandin G/H synthase 1/2
Synonyms:Cyclooxygenase
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 1666355
Components:This complex has 2 components.
Component 1
Name:Prostaglandin G/H synthase 2
Synonyms:Cox-2 | Cox2 | Cyclooxygenase | PGH2_RAT | Ptgs2
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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Component 2
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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  Blast E-value cutoff:
BDBM50076666
n/a
NameBDBM50076666
Synonyms:CHEMBL175153 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl)-5-p-tolyl-1H-pyrazol-3-yl]-1-methyl-prop-2-ynyl}-acetamide
TypeSmall organic molecule
Emp. Form.C23H23N3O3
Mol. Mass.389.447
SMILESCOc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(C)=O
Structure
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