BDBM104104 N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylpropyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-69)
SMILES: O[C@H](CN(CCCc1ccccc1)S(=O)(=O)c1ccc2ncsc2c1)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
InChI Key: InChIKey=OLPAULVXKPQQPH-IOWSJCHKSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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HIV-1 protease (Human immunodeficiency virus) | BDBM104104 (N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts Institute of Technology | Assay Description HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G... | ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 protease M2 (Human immunodeficiency virus) | BDBM104104 (N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...) | PDB MMDB B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 2.00 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts Institute of Technology | Assay Description HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G... | ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease M4 (Human immunodeficiency virus) | BDBM104104 (N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...) | PDB MMDB B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 2.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts Institute of Technology | Assay Description HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G... | ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease M3 (Human immunodeficiency virus) | BDBM104104 (N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...) | PDB MMDB B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 9.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts Institute of Technology | Assay Description HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G... | ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease M1 (Human immunodeficiency virus) | BDBM104104 (N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...) | PDB MMDB B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 19.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts Institute of Technology | Assay Description HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G... | ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z | |||||||||||
More data for this Ligand-Target Pair |