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Target
Beta-galactosidase [V151I,I185V]
Ligand
BDBM163636
Substrate
n/a
Meas. Tech.
Inhibition Assays
Ki
9.7e+2± 1e+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:
BDBM163636
Synonyms:
3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(4ethoxyphenyl)3(2hydroxyethyl)thiourea (Inh 1) | US9334288, 1
Type:
Small organic molecule
Emp. Form.:
C23H27N3O3S
Mol. Mass.:
425.544
SMILES:
CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1
Structure:
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