| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1 |
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| Ligand | BDBM50269617 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_551370 (CHEMBL1008496) |
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| IC50 | 28000±n/a nM |
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| Citation |  Larsson, J; Gottfries, J; Bohlin, L; Backlund, A Expanding the ChemGPS chemical space with natural products. J Nat Prod68:985-91 (2005) [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 |
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| Synonyms: | COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase) |
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| Type: | Enzyme |
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| Mol. Mass.: | 68692.62 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P23219 |
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| Residue: | 599 |
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| Sequence: | MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTR
TGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRS
NLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRF
LLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQ
YQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLY
ATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKF
DPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEA
LVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQEL
VGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICS
PEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
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| BDBM50269617 |
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| n/a |
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| Name | BDBM50269617 |
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| Synonyms: | (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid8,8'-diapocarotene-8,8'-dioic acid | 8,8'-diapo-8,8'-carotenedioic acid | 8,8'-diapo-psi,psi-carotenedioic acid | 8,8'-diapocarotenedioic acid | CHEMBL464792 | Crocetin |
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| Type | Small organic molecule |
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| Emp. Form. | C20H24O4 |
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| Mol. Mass. | 328.4022 |
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| SMILES | C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O |
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| Structure | 
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