Reaction Details |
| Report a problem with these data |
Target | Prostaglandin G/H synthase 1/2 |
---|
Ligand | BDBM50472627 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_225530 (CHEMBL848481) |
---|
IC50 | <1.000000±n/a nM |
---|
Citation | Inagaki, M; Tsuri, T; Jyoyama, H; Ono, T; Yamada, K; Kobayashi, M; Hori, Y; Arimura, A; Yasui, K; Ohno, K; Kakudo, S; Koizumi, K; Suzuki, R; Kawai, S; Kato, M; Matsumoto, S Novel antiarthritic agents with 1,2-isothiazolidine-1,1-dioxide (gamma-sultam) skeleton: cytokine suppressive dual inhibitors of cyclooxygenase-2 and 5-lipoxygenase. J Med Chem43:2040-8 (2000) [PubMed] Article |
---|
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
|
|
|
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
|
|
|
BDBM50472627 |
---|
n/a |
---|
Name | BDBM50472627 |
Synonyms: | CHEMBL304489 |
Type | Small organic molecule |
Emp. Form. | C24H30ClNO3S |
Mol. Mass. | 448.018 |
SMILES | CC(C)(C)c1cc(\C=C2\CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(c1O)C(C)(C)C |
Structure |
|