| Reaction Details |
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 | Report a problem with these data |
| Target | Steryl-sulfatase |
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| Ligand | BDBM50200939 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_423907 (CHEMBL910729) |
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| IC50 | 320±n/a nM |
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| Citation |  Leese, MP; Leblond, B; Smith, A; Newman, SP; Di Fiore, A; De Simone, G; Supuran, CT; Purohit, A; Reed, MJ; Potter, BV 2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity. J Med Chem49:7683-96 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Steryl-sulfatase |
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| Name: | Steryl-sulfatase |
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| Synonyms: | ARSC1 | ASC | Arylsulfatase C | STS | STS_HUMAN | Steroid sulfatase | Steryl-sulfate sulfohydrolase |
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| Type: | Enzyme |
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| Mol. Mass.: | 65503.66 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P08842 |
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| Residue: | 583 |
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| Sequence: | MPLRKMKIPFLLLFFLWEAESHAASRPNIILVMADDLGIGDPGCYGNKTIRTPNIDRLAS
GGVKLTQHLAASPLCTPSRAAFMTGRYPVRSGMASWSRTGVFLFTASSGGLPTDEITFAK
LLKDQGYSTALIGKWHLGMSCHSKTDFCHHPLHHGFNYFYGISLTNLRDCKPGEGSVFTT
GFKRLVFLPLQIVGVTLLTLAALNCLGLLHVPLGVFFSLLFLAALILTLFLGFLHYFRPL
NCFMMRNYEIIQQPMSYDNLTQRLTVEAAQFIQRNTETPFLLVLSYLHVHTALFSSKDFA
GKSQHGVYGDAVEEMDWSVGQILNLLDELRLANDTLIYFTSDQGAHVEEVSSKGEIHGGS
NGIYKGGKANNWEGGIRVPGILRWPRVIQAGQKIDEPTSNMDIFPTVAKLAGAPLPEDRI
IDGRDLMPLLEGKSQRSDHEFLFHYCNAYLNAVRWHPQNSTSIWKAFFFTPNFNPVGSNG
CFATHVCFCFGSYVTHHDPPLLFDISKDPRERNPLTPASEPRFYEILKVMQEAADRHTQT
LPEVPDQFSWNNFLWKPWLQLCCPSTGLSCQCDREKQDKRLSR
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| BDBM50200939 |
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| n/a |
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| Name | BDBM50200939 |
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| Synonyms: | 2-methylsulfanylestradiol 3,17-O,O-bis-sulfamate | CHEMBL219273 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H28N2O6S3 |
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| Mol. Mass. | 476.63 |
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| SMILES | CSc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O |r| |
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| Structure | 
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