Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHuman immunodeficiency virus type 1 integrase
LigandBDBM50088359
Substrate/Competitorn/a
Meas. Tech.ChEMBL_88616
IC50 660±n/a nM
Citation Carlson HAMasukawa KMRubins KBushman FDJorgensen WLLins RDBriggs JMMcCammon JA Developing a dynamic pharmacophore model for HIV-1 integrase. J Med Chem 43:2100-14 (2000) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Human immunodeficiency virus type 1 integrase
Name:Human immunodeficiency virus type 1 integrase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:32231.48
Organism:Human immunodeficiency virus 1
Description:ChEMBL_90865
Residue:288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50088359
n/a
NameBDBM50088359
Synonyms:3,5-Bis-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-1,4-dihydroxy-cyclohexanecarboxylic acid | CHEMBL441250
TypeSmall organic molecule
Emp. Form.C25H24O12
Mol. Mass.516.4509
SMILESOC1C(CC(O)(CC1OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C/c1ccc(O)c(O)c1 |(5.46,-3.6,;5.46,-2.24,;6.59,-.7,;8.81,-.7,;9.95,-2.24,;9.95,-3.8,;8.81,-3.69,;6.59,-3.69,;6.59,-5.2,;7.98,-5.83,;9.35,-5.13,;7.98,-7.41,;9.28,-8.06,;10.55,-7.19,;10.55,-5.53,;11.74,-4.69,;13.18,-5.43,;14.54,-4.77,;13.18,-7.23,;14.57,-7.85,;11.91,-7.88,;9.95,-.68,;11.38,.16,;8.79,.5,;6.63,.6,;4.99,1.65,;3.59,.89,;4.99,3.31,;3.7,4.06,;2.43,3.26,;2.43,1.78,;1.1,1.09,;-.16,1.85,;-1.52,1.15,;-.16,3.31,;-1.48,4.11,;1.14,4.04,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: