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Target
Steryl-sulfatase
Ligand
BDBM24303
Substrate
BDBM10022
Meas. Tech.
Sulfatase Inhibition Assay
pH
7.5±n/a
Temperature
310.15±n/a K
Comments
11.9% inhibition @ 10 uM.
Citation
 Wood, PM; Woo, LW; Labrosse, JR; Trusselle, MN; Abbate, S; Longhi, G; Castiglioni, E; Lebon, F; Purohit, A; Reed, MJ; Potter, BV Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity. J Med Chem 51:4226-38 (2008) [PubMed]  Article 
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:
BDBM24303
Synonyms:
(2-methoxy-4-{[3-methoxy-4-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl)methyl}phenyl) sulfamate | Letrozole derivative, 22
Type:
Small organic molecule
Emp. Form.:
C17H19N5O8S2
Mol. Mass.:
485.491
SMILES:
COc1cc(ccc1OS(N)(=O)=O)C(c1ccc(OS(N)(=O)=O)c(OC)c1)n1cncn1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10022
Synonyms:
13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene | Estrone 3-sulfate | [3H]Estrone 3-sulfate | [3H]estrone sulfate | [6,7-3H] E1S | {15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl}oxidanesulfonic acid
Type:
Small organic molecule
Emp. Form.:
C18H22O5S
Mol. Mass.:
350.429
SMILES:
CC12CCC3C(CCc4cc(OS(O)(=O)=O)ccc34)C1CCC2=O
Structure:
Search PDB for entries with ligand similarity: