Target
DNA dC->dU-editing enzyme APOBEC-3G
Ligand
BDBM60611
Substrate
n/a
Meas. Tech.
SAR analysis of small molecule inhibitors of APOBEC3G DNA Deaminase via a fluorescence-based single-stranded DNA deaminase assay - Set 2
Temperature
298.15±n/a K
IC50
732±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 - Set 2 PubChem Bioassay (2012)[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:
BDBM60611
Synonyms:
(4E)-2-methoxy-4-[[[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one | (4E)-2-methoxy-4-[[[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone | (4E)-2-methoxy-4-[[[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one | 4-{[(E)-3-Mercapto-5-(1,4,5,6-tetrahydro-cyclopentapyrazol-3-yl)-[1,2,4]triazol-4-ylimino]-methyl}-2-methoxy-phenol | MLS000331417 | SMR000220894 | cid_16189647
Type:
Small organic molecule
Emp. Form.:
C16H16N6O2S
Mol. Mass.:
356.402
SMILES:
COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
Structure:
Search PDB for entries with ligand similarity: