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Target
Steryl-sulfatase
Ligand
BDBM50604011
Substrate
n/a
Meas. Tech.
ChEMBL_2246270 (CHEMBL5160480)
IC50
1.7±n/a nM
Citation
 Biernacki, K; Ciupak, O; Da?ko, M; Rachon, J; Kozak, W; Rak, J; Kubi?ski, K; Mas?yk, M; Martyna, A; ?liwka-Kaszy?ska, M; Wietrzyk, J; ?witalska, M; Nocentini, A; Supuran, CT; Demkowicz, S Development of Sulfamoylated 4-(1-Phenyl-1 J Med Chem 65:5044-5056 (2022) [PubMed] 
Target
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:
MPLRKMKIPFLLLFFLWEAESHAASRPNIILVMADDLGIGDPGCYGNKTIRTPNIDRLASGGVKLTQHLAASPLCTPSRAAFMTGRYPVRSGMASWSRTGVFLFTASSGGLPTDEITFAKLLKDQGYSTALIGKWHLGMSCHSKTDFCHHPLHHGFNYFYGISLTNLRDCKPGEGSVFTTGFKRLVFLPLQIVGVTLLTLAALNCLGLLHVPLGVFFSLLFLAALILTLFLGFLHYFRPLNCFMMRNYEIIQQPMSYDNLTQRLTVEAAQFIQRNTETPFLLVLSYLHVHTALFSSKDFAGKSQHGVYGDAVEEMDWSVGQILNLLDELRLANDTLIYFTSDQGAHVEEVSSKGEIHGGSNGIYKGGKANNWEGGIRVPGILRWPRVIQAGQKIDEPTSNMDIFPTVAKLAGAPLPEDRIIDGRDLMPLLEGKSQRSDHEFLFHYCNAYLNAVRWHPQNSTSIWKAFFFTPNFNPVGSNGCFATHVCFCFGSYVTHHDPPLLFDISKDPRERNPLTPASEPRFYEILKVMQEAADRHTQTLPEVPDQFSWNNFLWKPWLQLCCPSTGLSCQCDREKQDKRLSR
  
Inhibitor
Name:
BDBM50604011
Synonyms:
CHEMBL5205557
Type:
Small organic molecule
Emp. Form.:
C14H11FN4O3S
Mol. Mass.:
334.326
SMILES:
NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cccc(F)c1
Structure:
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