Target
DNA dC->dU-editing enzyme APOBEC-3G
Ligand
BDBM87105
Substrate
n/a
Meas. Tech.
SAR analysis of small molecule inhibitors of APOBEC3G DNA Deaminase via a fluorescence-based single-stranded DNA deaminase assay
Temperature
298.15±n/a K
IC50
>99000±n/a nM
Comments
extracted
Citation
 PubChem, PC SAR analysis of small molecule inhibitors of APOBEC3G DNA Deaminase via a fluorescence-based single-stranded DNA deaminase assay PubChem Bioassay (2011)[AID] 
Target
Name:
DNA dC->dU-editing enzyme APOBEC-3G
Synonyms:
ABC3G_HUMAN | APOBEC3G
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46419.54
Organism:
Homo sapiens (Human)
Description:
gi_13399304
Residue:
384
Sequence:
MKPHFRNTVERMYRDTFSYNFYNRPILSRRNTVWLCYEVKTKGPSRPPLDAKIFRGQVYSELKYHPEMRFFHWFSKWRKLHRDQEYEVTWYISWSPCTKCTRDMATFLAEDPKVTLTIFVARLYYFWDPDYQEALRSLCQKRDGPRATMKIMNYDEFQHCWSKFVYSQRELFEPWNNLPKYYILLHIMLGEILRHSMDPPTFTFNFNNEPWVRGRHETYLCYEVERMHNDTWVLLNQRRGFLCNQAPHKHGFLEGRHAELCFLDVIPFWKLDLDQDYRVTCFTSWSPCFSCAQEMAKFISKNKHVSLCIFTARIYDDQGRCQEGLRTLAEAGAKISIMTYSEFKHCWDTFVDHQGCPFQPWDGLDEHSQDLSGRLRAILQNQEN
  
Inhibitor
Name:
BDBM87105
Synonyms:
1-[1-(2,5-difluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-phenyl-3-thiazolo[2,3-c][1,2,4]triazolyl)thio]ethanone | 1-[1-(2,5-difluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio]ethanone | 1-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone | 1-[1-[2,5-bis(fluoranyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone | MLS-0463487.0001 | cid_1281726
Type:
Small organic molecule
Emp. Form.:
C24H18F2N4OS2
Mol. Mass.:
480.553
SMILES:
Cc1cc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C)n1-c1cc(F)ccc1F |(16.31,-1.1,;14.91,-.47,;13.57,-1.24,;12.43,-.21,;10.92,-.52,;9.9,.62,;10.45,-1.99,;8.94,-2.3,;8.46,-3.77,;9.36,-5.01,;8.46,-6.25,;7,-5.78,;5.54,-6.25,;4.63,-5.01,;5.54,-3.76,;5.06,-2.3,;6.09,-1.15,;5.62,.31,;4.11,.63,;3.08,-.51,;3.56,-1.98,;7,-4.24,;13.06,1.2,;12.29,2.54,;14.59,1.04,;15.62,2.18,;15.15,3.65,;16.18,4.79,;15.71,6.25,;17.69,4.46,;18.16,3,;17.13,1.86,;17.6,.39,)|
Structure:
Search PDB for entries with ligand similarity: