Reaction Details |
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Target | Prostaglandin G/H synthase 2 |
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Ligand | BDBM17636 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_815553 (CHEMBL2025082) |
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IC50 | 20±n/a nM |
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Citation | Chen, M; Adeniji, AO; Twenter, BM; Winkler, JD; Christianson, DW; Penning, TM Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg Med Chem Lett22:3492-7 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Prostaglandin G/H synthase 2 |
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Name: | Prostaglandin G/H synthase 2 |
Synonyms: | COX2 | Cyclooxygenase | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGH2_HUMAN | PGHS-2 | PHS II | PTGS2 | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 |
Type: | Enzyme |
Mol. Mass.: | 69003.89 |
Organism: | Homo sapiens (Human) |
Description: | Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI). |
Residue: | 604 |
Sequence: | MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
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BDBM17636 |
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n/a |
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Name | BDBM17636 |
Synonyms: | 2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid | Arlef | CHEMBL23588 | Flufenamic acid | Nichisedan | US20240002326, Compound Flufenamic acid | US9271961, Flufenamic Acid |
Type | Small organic molecule |
Emp. Form. | C14H10F3NO2 |
Mol. Mass. | 281.2299 |
SMILES | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F |
Structure |
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