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Target
Beta-galactosidase [V151I,I185V]
Ligand
BDBM163640
Substrate
n/a
Meas. Tech.
Inhibition Assays
Ki
5.4e+2± 2e+2 nM
Citation
 Wallace, BD; Roberts, AB; Pollet, RM; Ingle, JD; Biernat, KA; Pellock, SJ; Venkatesh, MK; Guthrie, L; O'Neal, SK; Robinson, SJ; Dollinger, M; Figueroa, E; McShane, SR; Cohen, RD; Jin, J; Frye, SV; Zamboni, WC; Pepe-Ranney, C; Mani, S; Kelly, L; Redinbo, MR Structure and Inhibition of Microbiome ß-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity. Chem Biol 22:1238-49 (2015) [PubMed]  Article 
Target
Name:
Beta-galactosidase [V151I,I185V]
Synonyms:
Beta-glucuronidase (CpGUS) | Q8XP19_CLOPE | bglR
Type:
Protein
Mol. Mass.:
68709.58
Organism:
Clostridium perfringens (Firmicutes)
Description:
A0A0N9KAE4
Residue:
599
Sequence:
MLYPIITESRQLIDLSGIWKFKLNEGNGLTEELSKAPLEDTIEMAVPSSYNDLVESQEVRDHVGWVWYERNFTIPKTLLNERIVLRFGSATHEAKVYLNGELLVEHKGGFTPFEAEINDLLVSGDNRLTVAVNNIIDETTLPVGLVKEVEIDGKKVIKNSVNFDFFNYAGIHRPVKIYTTPKSYVEDITIVTDFKENNGYVNYEVQAVGKCNIKVTIIDEENNIVAEGEGKEGKLTINNVHLWEPMNAYLYKLKVELLDDEEIIDTYFEEFGVRTVEVKDGKFLINNKPFYFKGFGKHEDSYVNGRGINEAINIKDFNLMKWIGANSFRTSHYPYSEEIMRLADREGIVVIDETPAVGLHLNFMATGFGGDAPKRDTWKEIGTKEAHERILRELVSRDKNHPCVVMWSVANEPDSDSEGAKEYFEPLIKLTKELDPQKRPVTVVTYLMSTPDRCKVGDIVDVLCLNRYYGWYVAGGDLEEAKRMLEDELKGWEERCPKTPIMFTEYGADTVAGLHDTVPVMFTEEYQVEYYKANHEVMDKCKNFVGEQVWNFADFATSQGIIRVQGNKKGIFTRERKPKMIAHSLRERWTNIPEFGYKK
  
Inhibitor
Name:
BDBM163640
Synonyms:
5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7.4.0.0²,⁷]trideca1(9),2(7),3,5tetraene (Inh 5) | US9334288, 5
Type:
Small organic molecule
Emp. Form.:
C16H22N4S
Mol. Mass.:
302.438
SMILES:
CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21
Structure:
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