Reaction Details |
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Target | Steryl-sulfatase |
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Ligand | BDBM50223216 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_203055 (CHEMBL811559) |
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Ki | 16000±n/a nM |
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Citation | Lapierre, J; Ahmed, V; Chen, MJ; Ispahany, M; Guillemette, JG; Taylor, SD The difluoromethylene group as a replacement for the labile oxygen in steroid sulfates: a new approach to steroid sulfatase inhibitors. Bioorg Med Chem Lett14:151-5 (2003) [PubMed] |
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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 |
Synonyms: | ARSC1 | ASC | Arylsulfatase C | STS | STS_HUMAN | Steroid sulfatase | Steryl-sulfate sulfohydrolase |
Type: | Enzyme |
Mol. Mass.: | 65503.66 |
Organism: | Homo sapiens (Human) |
Description: | P08842 |
Residue: | 583 |
Sequence: | MPLRKMKIPFLLLFFLWEAESHAASRPNIILVMADDLGIGDPGCYGNKTIRTPNIDRLAS
GGVKLTQHLAASPLCTPSRAAFMTGRYPVRSGMASWSRTGVFLFTASSGGLPTDEITFAK
LLKDQGYSTALIGKWHLGMSCHSKTDFCHHPLHHGFNYFYGISLTNLRDCKPGEGSVFTT
GFKRLVFLPLQIVGVTLLTLAALNCLGLLHVPLGVFFSLLFLAALILTLFLGFLHYFRPL
NCFMMRNYEIIQQPMSYDNLTQRLTVEAAQFIQRNTETPFLLVLSYLHVHTALFSSKDFA
GKSQHGVYGDAVEEMDWSVGQILNLLDELRLANDTLIYFTSDQGAHVEEVSSKGEIHGGS
NGIYKGGKANNWEGGIRVPGILRWPRVIQAGQKIDEPTSNMDIFPTVAKLAGAPLPEDRI
IDGRDLMPLLEGKSQRSDHEFLFHYCNAYLNAVRWHPQNSTSIWKAFFFTPNFNPVGSNG
CFATHVCFCFGSYVTHHDPPLLFDISKDPRERNPLTPASEPRFYEILKVMQEAADRHTQT
LPEVPDQFSWNNFLWKPWLQLCCPSTGLSCQCDREKQDKRLSR
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BDBM50223216 |
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n/a |
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Name | BDBM50223216 |
Synonyms: | CHEMBL3348562 |
Type | Small organic molecule |
Emp. Form. | C20H22F2N4O |
Mol. Mass. | 372.4117 |
SMILES | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(F)(F)C1N=NN=N1 |c:30,32| |
Structure |
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