BDBM12885 (5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-methoxy-phenyl)sulfonyl]amino]propyl]-2-oxo-3-[(3-trifluoromethyl)phenyl]-oxazolidine-5-carboxamide::(5S)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide::N-Aryl-oxazolidinone-5-carboxamide Analogue 21d
SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=DDUYAVRQCCSESZ-NHKHRBQYSA-N
Data: 3 KI
PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM12885 ((5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB Article PubMed | 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM12885 ((5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMBI Curated by ChEMBL | Assay Description Inhibition of HIV1 protease Q7K mutant by FRET method | J Med Chem 52: 737-54 (2009) Article DOI: 10.1021/jm8009525 BindingDB Entry DOI: 10.7270/Q2PN98FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM12885 ((5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 0.00603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMBI Curated by ChEMBL | Assay Description Inhibition of HIV1 protease Q7K mutant by FRET method | J Med Chem 52: 737-54 (2009) Article DOI: 10.1021/jm8009525 BindingDB Entry DOI: 10.7270/Q2PN98FX | |||||||||||
More data for this Ligand-Target Pair |