Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHuman immunodeficiency virus type 1 integrase
LigandBDBM50088358
Substrate/Competitorn/a
Meas. Tech.ChEMBL_88615
IC50 1100±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:
BDBM50088358
n/a
NameBDBM50088358
Synonyms:4-Dimethylamino-3,6,12-trihydroxy-6,10-dimethyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid [(2-hydroxy-1,1-bis-hydroxymethyl-ethylamino)-methyl]-amide; hydrochloride | CHEMBL553067 | NSC-64205
TypeSmall organic molecule
Emp. Form.C28H37N3O9
Mol. Mass.559.6081
SMILESCN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)C2C(=O)C(C(=O)NCNC(CO)(CO)CO)C1=O)C(=O)c1c(C)cccc1C3(C)O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: