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Target
Integrase
Ligand
BDBM50162335
Substrate
n/a
Meas. Tech.
ChEMBL_306110 (CHEMBL830061)
IC50
43000±n/a nM
Citation
 Deng, J; Lee, KW; Sanchez, T; Cui, M; Neamati, N; Briggs, JM Dynamic receptor-based pharmacophore model development and its application in designing novel HIV-1 integrase inhibitors. J Med Chem 48:1496-505 (2005) [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:
BDBM50162335
Synonyms:
5-Cyclopropyl-2H-pyrazole-3-carboxylic acid [1-(2,4-dihydroxy-phenyl)-meth-(E)-ylidene]-hydrazide | CHEMBL194550
Type:
Small organic molecule
Emp. Form.:
C14H14N4O3
Mol. Mass.:
286.286
SMILES:
Oc1ccc(C=NNC(=O)c2cc(n[nH]2)C2CC2)c(O)c1 |w:5.4|
Structure:
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