Reaction Details |
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Target | Aromatase |
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Ligand | BDBM9989 |
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Substrate/Competitor | BDBM8592 |
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Meas. Tech. | Aromatase Assay |
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pH | 7.5±n/a |
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Temperature | 310.15±n/a K |
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Ki | 3.4±n/a nM |
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IC50 | 31±n/a nM |
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Km | 33±n/a nM |
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Citation | Numazawa, M; Yamada, K; Nitta, S; Sasaki, C; Kidokoro, K Role of hydrophilic interaction in binding of hydroxylated 3-deoxy C(19) steroids to the active site of aromatase. J Med Chem44:4277-83 (2001) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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Aromatase |
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Name: | Aromatase |
Synonyms: | ARO1 | Aromatase | CP19A_HUMAN | CYAR | CYP19 | CYP19A1 | CYPXIX | Cytochrome P-450AROM | Cytochrome P450 19A1 | Cytochrome P450 2C19 | Cytochrome P450-C19 (CYP19) | Estrogen synthetase | FL cytokine receptor precursor | P-450AROM |
Type: | Enzyme |
Mol. Mass.: | 57888.92 |
Organism: | Homo sapiens (Human) |
Description: | P11511 |
Residue: | 503 |
Sequence: | MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLI
SHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKL
GLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTN
ESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWL
YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCI
LEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFI
YESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAK
NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLH
PDETKNMLEMIFTPRNSDRCLEH
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BDBM9989 |
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BDBM8592 |
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Name | BDBM9989 |
Synonyms: | (2S,6S,15S)-6-hydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-one | Hydroxylated 3-Deoxy C19 Steroid 27 |
Type | Small organic molecule |
Emp. Form. | C19H28O3 |
Mol. Mass. | 304.4238 |
SMILES | C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34CO)C1CCC2=O |r,t:7| |
Structure |
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