Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50088352
Substrate
n/a
Meas. Tech.
ChEMBL_88615 (CHEMBL701719)
IC50
900±n/a nM
Citation
 Carlson, HA; Masukawa, KM; Rubins, K; Bushman, FD; Jorgensen, WL; Lins, RD; Briggs, JM; McCammon, JA Developing a dynamic pharmacophore model for HIV-1 integrase. J Med Chem 43:2100-14 (2000) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50088352
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 [4-(guanidino-imino-methyl)-piperazin-1-ylmethyl]-amide | CHEMBL292992 | NSC-118695
Type:
Small organic molecule
Emp. Form.:
C30H40N8O6
Mol. Mass.:
608.6886
SMILES:
CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)C2C(=O)C(C(=O)NCN2CCN(CC2)C(N)=NC(N)=N)C1=O)C(=O)c1c(C)cccc1C3(C)O |w:26.28|
Structure:
Search PDB for entries with ligand similarity: