Reaction Details Report a problem with these data
Target
PC4 and SFRS1-interacting protein
Ligand
BDBM87457
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of LEDGF/p75-dependent integration: TR-FRET-based biochemical high throughput dose response counterscreen assay to identify activators of HIV-1 Integrase multimerization
IC50
3759±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of LEDGF/p75-dependent integration: TR-FRET-based biochemical high throughput dose response counterscreen assay to identify activators of HIV-1 Integrase multimerization PubChem Bioassay (2014)[AID] 
Target
Name:
PC4 and SFRS1-interacting protein
Synonyms:
DFS70 | LEDGF | LEDGF/p75 | PSIP1 | PSIP1_HUMAN | PSIP2 | lens epithelium-derived growth factor p75
Type:
Enzyme Catalytic Domain
Mol. Mass.:
60120.68
Organism:
Homo sapiens (Human)
Description:
gi_6708281
Residue:
530
Sequence:
MTRDFKPGDLIFAKMKGYPHWPARVDEVPDGAVKPPTNKLPIFFFGTHETAFLGPKDIFPYSENKEKYGKPNKRKGFNEGLWEIDNNPKVKFSSQQAATKQSNASSDVEVEEKETSVSKEDTDHEEKASNEDVTKAVDITTPKAARRGRKRKAEKQVETEEAGVVTTATASVNLKVSPKRGRPAATEVKIPKPRGRPKMVKQPCPSESDIITEEDKSKKKGQEEKQPKKQPKKDEEGQKEEDKPRKEPDKKEGKKEVESKRKNLAKTGVTSTSDSEEEGDDQEGEKKRKGGRNFQTAHRRNMLKGQHEKEAADRKRKQEEQMETEQQNKDEGKKPEVKKVEKKRETSMDSRLQRIHAEIKNSLKIDNLDVNRCIEALDELASLQVTMQQAQKHTEMITTLKKIRRFKVSQVIMEKSTMLYNKFKNMFLVGEGDSVITQVLNKSLAEQRQHEEANKTKDQGKKGPNKKLEKEQTGSKTLNGGSDAQDGNQPQHNGESNEDSKDNHEASTKKKPSSEERETEISLKDSTLDN
  
Inhibitor
Name:
BDBM87457
Synonyms:
1,4-Dicaffeylquinic acid | 1,4-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3,5-dihydroxy-1-cyclohexanecarboxylic acid | 1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-3,5-dihydroxy-cyclohexanecarboxylic acid | 1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid | 1,4-bis[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]-3,5-bis(oxidanyl)cyclohexane-1-carboxylic acid | MLS000736925 | SMR000528430 | cid_5316647
Type:
Small organic molecule
Emp. Form.:
C25H24O12
Mol. Mass.:
516.4509
SMILES:
OC1CC(CC(O)C1OC(=O)\C=C\c1ccc(O)c(O)c1)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |(6.57,-.33,;7.91,.44,;7.91,1.98,;9.24,2.75,;10.58,1.98,;10.58,.44,;11.91,-.33,;9.24,-.33,;9.24,-1.87,;7.91,-2.64,;6.57,-1.87,;7.91,-4.18,;6.57,-4.95,;6.57,-6.49,;7.91,-7.26,;7.91,-8.8,;6.57,-9.57,;6.57,-11.11,;5.24,-8.8,;3.91,-9.57,;5.24,-7.26,;10.01,4.09,;11.55,4.09,;12.32,2.75,;12.32,5.42,;13.86,5.42,;14.63,6.76,;13.86,8.09,;14.63,9.42,;16.17,9.42,;16.94,10.76,;16.94,8.09,;18.48,8.09,;16.17,6.76,;8.47,4.09,;6.93,4.09,;9.24,5.42,)|
Structure:
Search PDB for entries with ligand similarity: